ChemSpider 2D Image | 1-{2-[Methyl(3-{[3-(1-pyrrolidinyl)propanoyl]amino}benzoyl)amino]ethyl}-4-piperidinyl 2-biphenylylcarbamate | C35H43N5O4

1-{2-[Methyl(3-{[3-(1-pyrrolidinyl)propanoyl]amino}benzoyl)amino]ethyl}-4-piperidinyl 2-biphenylylcarbamate

  • Molecular FormulaC35H43N5O4
  • Average mass597.747 Da
  • Monoisotopic mass597.331482 Da
  • ChemSpider ID10028441

More details:

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

1-{2-[Methyl(3-{[3-(1-pyrrolidinyl)propanoyl]amino}benzoyl)amino]ethyl}-4-piperidinyl 2-biphenylylcarbamate [ACD/IUPAC Name]
1-{2-[Methyl(3-{[3-(1-pyrrolidinyl)propanoyl]amino}benzoyl)amino]ethyl}-4-piperidinyl-2-biphenylylcarbamat [German] [ACD/IUPAC Name]
2-Biphénylylcarbamate de 1-{2-[méthyl(3-{[3-(1-pyrrolidinyl)propanoyl]amino}benzoyl)amino]éthyl}-4-pipéridinyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[1,1'-biphenyl]-2-yl-, 1-[2-[methyl[3-[[1-oxo-3-(1-pyrrolidinyl)propyl]amino]benzoyl]amino]ethyl]-4-piperidinyl 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: 784.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 428.3±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 171.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 7.56
ACD/KOC (pH 7.4): 31.68
Polar Surface Area: 94 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 477.2±5.0 cm3

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