ChemSpider 2D Image | 2-[(4R)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide | C22H22ClN5O2

2-[(4R)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide

  • Molecular FormulaC22H22ClN5O2
  • Average mass423.895 Da
  • Monoisotopic mass423.146210 Da
  • ChemSpider ID28661676

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[(4R)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide [ACD/IUPAC Name]
2-[(4R)-6-(4-Chlorophényl)-8-méthoxy-1-méthyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépin-4-yl]-N-éthylacétamide [French] [ACD/IUPAC Name]
2-[(4R)-6-(4-Chlorphenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamid [German] [ACD/IUPAC Name]
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetamide, 6-(4-chlorophenyl)-N-ethyl-8-methoxy-1-methyl-, (4R)- [ACD/Index Name]
(R)-2-(6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)-N-ethylacetamide
1260530-25-3 [RN]
2-[(4R)-6-(4-chlorophenyl)-1-methyl-8-(methyloxy)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
GSK 525768A
GSK525768A
GSK-525768A
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      BET bromodomain MedChem Express HY-13032A
      Cell Cycle/DNA Damage MedChem Express HY-13032A
      Cell Cycle/DNA Damage; MedChem Express HY-13032A
      GSK 525768A is the enantiomer compound of GSK 525762A(HY-13032), which is a potent small molecule inhibitor that disrupt the function of the BET family of bromodomains (Brd2, Brd3, and Brd4); GSK 5257 68A has NO activity towards BET. MedChem Express
      GSK 525768A is the enantiomer compound of GSK 525762A(HY-13032), which is a potent small molecule inhibitor that disrupt the function of the BET family of bromodomains (Brd2, Brd3, and Brd4); GSK 525768A has NO activity towards BET.; IC50 value: ; Target: MedChem Express HY-13032A
      GSK 525768A is the enantiomer compound of GSK 525762A(HY-13032), which is a potent small molecule inhibitor that disrupt the function of the BET family of bromodomains (Brd2, Brd3, and Brd4); GSK 525768A has NO activity towards BET.;IC50 value: ;Target: MedChem Express HY-13032A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 116.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.28
ACD/KOC (pH 5.5): 445.79
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.36
ACD/KOC (pH 7.4): 446.69
Polar Surface Area: 81 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 312.6±7.0 cm3

Click to predict properties on the Chemicalize site


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