ChemSpider 2D Image | 2-[(4S)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-(~2~H_5_)ethylacetamide | C22H17D5ClN5O2

2-[(4S)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-(2H5)ethylacetamide

  • Molecular FormulaC22H17D5ClN5O2
  • Average mass428.926 Da
  • Monoisotopic mass428.177582 Da
  • ChemSpider ID48063157

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-[(4S)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-(2H5)ethylacetamide [ACD/IUPAC Name]
2-[(4S)-6-(4-Chlorophényl)-8-méthoxy-1-méthyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépin-4-yl]-N-(2H5)éthylacétamide [French] [ACD/IUPAC Name]
2-[(4S)-6-(4-Chlorphenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-(2H5)ethylacetamid [German] [ACD/IUPAC Name]
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetamide, 6-(4-chlorophenyl)-N-(ethyl-d5)-8-methoxy-1-methyl-, (4S)- [ACD/Index Name]
1802994-24-6 [RN]
2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-(1,1,2,2,2-pentadeuterioethyl)acetamide

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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