Found 1 result

Search term: LTQHMHHEKFOBRX-XCLFUZPHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R)-2-[(4S)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylpropanamide | C23H24ClN5O2

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

  • Molecular FormulaC23H24ClN5O2
  • Average mass437.922 Da
  • Monoisotopic mass437.161865 Da
  • ChemSpider ID129246112

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-[(4S)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylpropanamide [ACD/IUPAC Name]
(2R)-2-[(4S)-6-(4-Chlorophényl)-8-méthoxy-1-méthyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépin-4-yl]-N-éthylpropanamide [French] [ACD/IUPAC Name]
(2R)-2-[(4S)-6-(4-Chlorphenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylpropanamid [German] [ACD/IUPAC Name]
4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetamide, 6-(4-chlorophenyl)-N-ethyl-8-methoxy-α,1-dimethyl-, (αR,4S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 120.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.90
ACD/KOC (pH 5.5): 546.49
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 47.00
ACD/KOC (pH 7.4): 547.65
Polar Surface Area: 81 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 327.7±7.0 cm3

Click to predict properties on the Chemicalize site


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