ChemSpider 2D Image | Benzyl [(4R)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamate | C25H21N5O2

Benzyl [(4R)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamate

  • Molecular FormulaC25H21N5O2
  • Average mass423.466 Da
  • Monoisotopic mass423.169525 Da
  • ChemSpider ID26329324

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(4R)-1-Méthyl-6-phényl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépin-4-yl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(4R)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamate [ACD/IUPAC Name]
Benzyl-[(4R)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(4R)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-, phenylmethyl ester [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: 1.684
Molar Refractivity: 123.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 339.96
ACD/KOC (pH 5.5): 2256.74
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 339.88
ACD/KOC (pH 7.4): 2256.21
Polar Surface Area: 81 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 324.7±7.0 cm3

Click to predict properties on the Chemicalize site


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