ChemSpider 2D Image | N-(4-Acetylphenyl)-Nalpha-{[trans-4-(aminomethyl)cyclohexyl]carbonyl}-3-bromo-4-[(carboxyoxy)(phenyl)methyl]phenylalaninamide | C33H36BrN3O6

N-(4-Acetylphenyl)-Nα-{[trans-4-(aminomethyl)cyclohexyl]carbonyl}-3-bromo-4-[(carboxyoxy)(phenyl)methyl]phenylalaninamide

  • Molecular FormulaC33H36BrN3O6
  • Average mass650.559 Da
  • Monoisotopic mass649.178711 Da
  • ChemSpider ID64883324

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

Benzenepropanamide, N-(4-acetylphenyl)-α-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]amino]-3-bromo-4-[(carboxyoxy)phenylmethyl]- [ACD/Index Name]
N-(4-Acetylphenyl)-Nα-{[trans-4-(aminomethyl)cyclohexyl]carbonyl}-3-brom-4-[(carboxyoxy)(phenyl)methyl]phenylalaninamid [German] [ACD/IUPAC Name]
N-(4-Acetylphenyl)-Nα-{[trans-4-(aminomethyl)cyclohexyl]carbonyl}-3-bromo-4-[(carboxyoxy)(phenyl)methyl]phenylalaninamide [ACD/IUPAC Name]
N-(4-Acétylphényl)-Nα-{[trans-4-(aminométhyl)cyclohexyl]carbonyl}-3-bromo-4-[(carboxyoxy)(phényl)méthyl]phénylalaninamide [French] [ACD/IUPAC Name]

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: 1.624
Molar Refractivity: 166.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 5.24
ACD/KOC (pH 5.5): 22.17
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 5.26
ACD/KOC (pH 7.4): 22.24
Polar Surface Area: 148 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 471.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement