ChemSpider 2D Image | N-{4-[(3aS,9bR)-8-Cyano-1,3a,4,9b-tetrahydrochromeno[3,4-c]pyrrol-2(3H)-yl]butyl}-4-biphenylcarboxamide | C29H29N3O2

N-{4-[(3aS,9bR)-8-Cyano-1,3a,4,9b-tetrahydrochromeno[3,4-c]pyrrol-2(3H)-yl]butyl}-4-biphenylcarboxamide

  • Molecular FormulaC29H29N3O2
  • Average mass451.560 Da
  • Monoisotopic mass451.225983 Da
  • ChemSpider ID23156306

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[1,1'-Biphenyl]-4-carboxamide, N-[4-[(3aS,9bR)-8-cyano-1,3a,4,9b-tetrahydro[1]benzopyrano[3,4-c]pyrrol-2(3H)-yl]butyl]- [ACD/Index Name]
N-{4-[(3aS,9bR)-8-Cyan-1,3a,4,9b-tetrahydrochromeno[3,4-c]pyrrol-2(3H)-yl]butyl}-4-biphenylcarboxamid [German] [ACD/IUPAC Name]
N-{4-[(3aS,9bR)-8-Cyano-1,3a,4,9b-tetrahydrochromeno[3,4-c]pyrrol-2(3H)-yl]butyl}-4-biphenylcarboxamide [ACD/IUPAC Name]
N-{4-[(3aS,9bR)-8-Cyano-1,3a,4,9b-tétrahydrochroméno[3,4-c]pyrrol-2(3H)-yl]butyl}-4-biphénylcarboxamide [French] [ACD/IUPAC Name]
N-{4-[(3aS,9bR)-8-cyano-1,3a,4,9b-tetrahydrochromeno[3,4-c]pyrrol-2(3H)-yl]butyl}biphenyl-4-carboxamide
Biphenyl-4-carboxylic acid [4-((3aS,9bR)-8-cyano-1,3a,4,9b-tetrahydro-3H-chromeno[3,4-c]pyrrol-2-yl)-butyl]-amide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 662.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.6±31.5 °C
Index of Refraction: 1.654
Molar Refractivity: 132.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 2.19
ACD/KOC (pH 5.5): 8.29
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 21.27
ACD/KOC (pH 7.4): 80.61
Polar Surface Area: 65 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 361.1±5.0 cm3

Click to predict properties on the Chemicalize site


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