ChemSpider 2D Image | 1-{3-[(3-{[N-(2-Furylmethyl)-beta-alanyl]amino}phenyl)amino]-3-oxopropyl}-4-piperidinyl 2-biphenylylcarbamate | C35H39N5O5

1-{3-[(3-{[N-(2-Furylmethyl)-β-alanyl]amino}phenyl)amino]-3-oxopropyl}-4-piperidinyl 2-biphenylylcarbamate

  • Molecular FormulaC35H39N5O5
  • Average mass609.715 Da
  • Monoisotopic mass609.295105 Da
  • ChemSpider ID10029211

More details:

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

1-{3-[(3-{[N-(2-Furylmethyl)-β-alanyl]amino}phenyl)amino]-3-oxopropyl}-4-piperidinyl 2-biphenylylcarbamate [ACD/IUPAC Name]
1-{3-[(3-{[N-(2-Furylmethyl)-β-alanyl]amino}phenyl)amino]-3-oxopropyl}-4-piperidinyl-2-biphenylylcarbamat [German] [ACD/IUPAC Name]
2-Biphénylylcarbamate de 1-{3-[(3-{[N-(2-furylméthyl)-β-alanyl]amino}phényl)amino]-3-oxopropyl}-4-pipéridinyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[1,1'-biphenyl]-2-yl-, 1-[3-[[3-[[3-[(2-furanylmethyl)amino]-1-oxopropyl]amino]phenyl]amino]-3-oxopropyl]-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: 818.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 448.9±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 172.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.70
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 396.22
ACD/KOC (pH 7.4): 1631.82
Polar Surface Area: 125 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 474.9±5.0 cm3

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