ChemSpider 2D Image | 1-(2-{[4-({4-[(4-Hydroxybenzyl)carbamoyl]-1-piperidinyl}methyl)benzoyl](methyl)amino}ethyl)-4-piperidinyl 2-biphenylylcarbamate | C42H49N5O5

1-(2-{[4-({4-[(4-Hydroxybenzyl)carbamoyl]-1-piperidinyl}methyl)benzoyl](methyl)amino}ethyl)-4-piperidinyl 2-biphenylylcarbamate

  • Molecular FormulaC42H49N5O5
  • Average mass703.869 Da
  • Monoisotopic mass703.373352 Da
  • ChemSpider ID10031382

More details:

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

1-(2-{[4-({4-[(4-Hydroxybenzyl)carbamoyl]-1-piperidinyl}methyl)benzoyl](methyl)amino}ethyl)-4-piperidinyl 2-biphenylylcarbamate [ACD/IUPAC Name]
1-(2-{[4-({4-[(4-Hydroxybenzyl)carbamoyl]-1-piperidinyl}methyl)benzoyl](methyl)amino}ethyl)-4-piperidinyl-2-biphenylylcarbamat [German] [ACD/IUPAC Name]
2-Biphénylylcarbamate de 1-(2-{[4-({4-[(4-hydroxybenzyl)carbamoyl]-1-pipéridinyl}méthyl)benzoyl](méthyl)amino}éthyl)-4-pipéridinyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[1,1'-biphenyl]-2-yl-, 1-[2-[[4-[[4-[[[(4-hydroxyphenyl)methyl]amino]carbonyl]-1-piperidinyl]methyl]benzoyl]methylamino]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: 886.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.3±3.0 kJ/mol
Flash Point: 490.1±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 202.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.69
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 553.92
ACD/KOC (pH 7.4): 2253.70
Polar Surface Area: 114 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 548.5±5.0 cm3

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