ChemSpider 2D Image | 1-Cyano-2-butanyl [(1R)-1-(3-{[(4-cyano-3-methoxyphenyl)carbamoyl]amino}phenyl)ethyl]carbamate | C23H25N5O4

1-Cyano-2-butanyl [(1R)-1-(3-{[(4-cyano-3-methoxyphenyl)carbamoyl]amino}phenyl)ethyl]carbamate

  • Molecular FormulaC23H25N5O4
  • Average mass435.476 Da
  • Monoisotopic mass435.190643 Da
  • ChemSpider ID21246981

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

[(1R)-1-(3-{[(4-Cyano-3-méthoxyphényl)carbamoyl]amino}phényl)éthyl]carbamate de 1-cyano-2-butanyle [French] [ACD/IUPAC Name]
1-Cyan-2-butanyl-[(1R)-1-(3-{[(4-cyan-3-methoxyphenyl)carbamoyl]amino}phenyl)ethyl]carbamat [German] [ACD/IUPAC Name]
1-Cyano-2-butanyl [(1R)-1-(3-{[(4-cyano-3-methoxyphenyl)carbamoyl]amino}phenyl)ethyl]carbamate [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-1-[3-[[[(4-cyano-3-methoxyphenyl)amino]carbonyl]amino]phenyl]ethyl]-, 1-(cyanomethyl)propyl 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: 595.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.1±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 116.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 121.68
ACD/KOC (pH 5.5): 1081.96
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 121.66
ACD/KOC (pH 7.4): 1081.80
Polar Surface Area: 136 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 345.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement