ChemSpider 2D Image | Benzyl {3-[3-({(4-pentylbenzoyl)[1-(4-pyridinylmethyl)-4-piperidinyl]amino}methyl)phenyl]-2-propyn-1-yl}carbamate | C41H46N4O3

Benzyl {3-[3-({(4-pentylbenzoyl)[1-(4-pyridinylmethyl)-4-piperidinyl]amino}methyl)phenyl]-2-propyn-1-yl}carbamate

  • Molecular FormulaC41H46N4O3
  • Average mass642.829 Da
  • Monoisotopic mass642.356995 Da
  • ChemSpider ID9889085

More details:

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

{3-[3-({(4-Pentylbenzoyl)[1-(4-pyridinylméthyl)-4-pipéridinyl]amino}méthyl)phényl]-2-propyn-1-yl}carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl {3-[3-({(4-pentylbenzoyl)[1-(4-pyridinylmethyl)-4-piperidinyl]amino}methyl)phenyl]-2-propyn-1-yl}carbamate [ACD/IUPAC Name]
Benzyl-{3-[3-({(4-pentylbenzoyl)[1-(4-pyridinylmethyl)-4-piperidinyl]amino}methyl)phenyl]-2-propin-1-yl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[3-[3-[[(4-pentylbenzoyl)[1-(4-pyridinylmethyl)-4-piperidinyl]amino]methyl]phenyl]-2-propyn-1-yl]-, phenylmethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±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: 1.633
Molar Refractivity: 191.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.88
ACD/LogD (pH 5.5): 6.42
ACD/BCF (pH 5.5): 26194.06
ACD/KOC (pH 5.5): 27126.81
ACD/LogD (pH 7.4): 7.33
ACD/BCF (pH 7.4): 215040.38
ACD/KOC (pH 7.4): 222697.77
Polar Surface Area: 75 Å2
Polarizability: 75.9±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 535.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement