ChemSpider 2D Image | 4-({(3R)-7-(5-Formyl-2-furyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate | C41H39N5O7S

4-({(3R)-7-(5-Formyl-2-furyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate

  • Molecular FormulaC41H39N5O7S
  • Average mass745.843 Da
  • Monoisotopic mass745.257019 Da
  • ChemSpider ID26328709
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-({(3R)-7-(5-Formyl-2-furyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate [ACD/IUPAC Name]
4-({(3R)-7-(5-Formyl-2-furyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl-benzylcarbamat [German] [ACD/IUPAC Name]
4-({(3r)-7-(5-Formylfuran-2-Yl)-4-[(4-Methoxyphenyl)sulfonyl]-1-[(1-Methyl-1h-Imidazol-5-Yl)methyl]-2,3,4,5-Tetrahydro-1h-1,4-Benzodiazepin-3-Yl}methyl)phenyl Benzylcarbamate
Benzylcarbamate de 4-({(3R)-7-(5-formyl-2-furyl)-4-[(4-méthoxyphényl)sulfonyl]-1-[(1-méthyl-1H-imidazol-5-yl)méthyl]-2,3,4,5-tétrahydro-1H-1,4-benzodiazépin-3-yl}méthyl)phényle [French] [ACD/IUPAC Name]
Carbamic acid, N-(phenylmethyl)-, 4-[[(3R)-7-(5-formyl-2-furanyl)-2,3,4,5-tetrahydro-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1H-1,4-benzodiazepin-3-yl]methyl]phenyl ester [ACD/Index Name]
PZ3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.653
Molar Refractivity: 206.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 1151.44
ACD/KOC (pH 5.5): 2740.19
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11184.62
ACD/KOC (pH 7.4): 26617.17
Polar Surface Area: 145 Å2
Polarizability: 82.0±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 565.5±7.0 cm3

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