ChemSpider 2D Image | N-{trans-4-[Benzyl(4-methoxybenzoyl)amino]cyclohexyl}-1-(2-thienylacetyl)-4-piperidinecarboxamide | C33H39N3O4S

N-{trans-4-[Benzyl(4-methoxybenzoyl)amino]cyclohexyl}-1-(2-thienylacetyl)-4-piperidinecarboxamide

  • Molecular FormulaC33H39N3O4S
  • Average mass573.745 Da
  • Monoisotopic mass573.266113 Da
  • ChemSpider ID29231465

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Piperidinecarboxamide, N-[trans-4-[(4-methoxybenzoyl)(phenylmethyl)amino]cyclohexyl]-1-[2-(2-thienyl)acetyl]- [ACD/Index Name]
N-{trans-4-[Benzyl(4-methoxybenzoyl)amino]cyclohexyl}-1-(2-thienylacetyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-{trans-4-[Benzyl(4-methoxybenzoyl)amino]cyclohexyl}-1-(2-thienylacetyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
N-{trans-4-[Benzyl(4-méthoxybenzoyl)amino]cyclohexyl}-1-[2-(2-thiényl)acétyl]-4-pipéridinecarboxamide [French] [ACD/IUPAC 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: 828.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 455.1±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 162.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2194.07
ACD/KOC (pH 5.5): 8575.59
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2194.08
ACD/KOC (pH 7.4): 8575.59
Polar Surface Area: 107 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 455.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement