ChemSpider 2D Image | N-{4-[(4aR)-8-Fluoro-5-(4-fluorophenyl)-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indol-2-yl]butyl}benzamide | C28H29F2N3O

N-{4-[(4aR)-8-Fluoro-5-(4-fluorophenyl)-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indol-2-yl]butyl}benzamide

  • Molecular FormulaC28H29F2N3O
  • Average mass461.546 Da
  • Monoisotopic mass461.227875 Da
  • ChemSpider ID25042484
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

Benzamide, N-[4-[(4aR)-8-fluoro-5-(4-fluorophenyl)-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indol-2-yl]butyl]- [ACD/Index Name]
N-{4-[(4aR)-8-Fluor-5-(4-fluorphenyl)-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indol-2-yl]butyl}benzamid [German] [ACD/IUPAC Name]
N-{4-[(4aR)-8-Fluoro-5-(4-fluorophenyl)-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indol-2-yl]butyl}benzamide [ACD/IUPAC Name]
N-{4-[(4aR)-8-Fluoro-5-(4-fluorophényl)-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indol-2-yl]butyl}benzamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 644.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.7±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 129.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 3.13
ACD/KOC (pH 5.5): 11.51
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 76.74
ACD/KOC (pH 7.4): 281.89
Polar Surface Area: 36 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 380.5±3.0 cm3

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