ChemSpider 2D Image | N-(4-Anilinophenyl)-4-[4-(methylsulfanyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide | C32H29N3OS

N-(4-Anilinophenyl)-4-[4-(methylsulfanyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

  • Molecular FormulaC32H29N3OS
  • Average mass503.657 Da
  • Monoisotopic mass503.203125 Da
  • ChemSpider ID20730736

More details:

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

3H-Cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-[4-(phenylamino)phenyl]- [ACD/Index Name]
N-(4-Anilinophenyl)-4-[4-(methylsulfanyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]chinolin-6-carboxamid [German] [ACD/IUPAC Name]
N-(4-Anilinophényl)-4-[4-(méthylsulfanyl)phényl]-3a,4,5,9b-tétrahydro-3H-cyclopenta[c]quinoléine-6-carboxamide [French] [ACD/IUPAC Name]
N-(4-Anilinophenyl)-4-[4-(methylsulfanyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide [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: 646.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.6±31.5 °C
Index of Refraction: 1.718
Molar Refractivity: 152.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 24795.80
ACD/KOC (pH 5.5): 48628.90
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 24832.80
ACD/KOC (pH 7.4): 48701.46
Polar Surface Area: 78 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 387.6±5.0 cm3

Click to predict properties on the Chemicalize site


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