ChemSpider 2D Image | N-[3-Carbamoyl-6-(2-methyl-2-butanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methoxyphenyl)-3-methyl-4-quinolinecarboxamide | C32H35N3O3S

N-[3-Carbamoyl-6-(2-methyl-2-butanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methoxyphenyl)-3-methyl-4-quinolinecarboxamide

  • Molecular FormulaC32H35N3O3S
  • Average mass541.704 Da
  • Monoisotopic mass541.239929 Da
  • ChemSpider ID4326581

More details:

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

4-Quinolinecarboxamide, N-[3-(aminocarbonyl)-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-2-(4-methoxyphenyl)-3-methyl- [ACD/Index Name]
N-[3-Carbamoyl-6-(2-methyl-2-butanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methoxyphenyl)-3-methyl-4-chinolincarboxamid [German] [ACD/IUPAC Name]
N-[3-Carbamoyl-6-(2-méthyl-2-butanyl)-4,5,6,7-tétrahydro-1-benzothiophén-2-yl]-2-(4-méthoxyphényl)-3-méthyl-4-quinoléinecarboxamide [French] [ACD/IUPAC Name]
N-[3-Carbamoyl-6-(2-methyl-2-butanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methoxyphenyl)-3-methyl-4-quinolinecarboxamide [ACD/IUPAC 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: 632.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.2±31.5 °C
Index of Refraction: 1.648
Molar Refractivity: 159.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.82
ACD/LogD (pH 5.5): 7.13
ACD/BCF (pH 5.5): 155142.77
ACD/KOC (pH 5.5): 180517.11
ACD/LogD (pH 7.4): 7.14
ACD/BCF (pH 7.4): 155849.92
ACD/KOC (pH 7.4): 181339.92
Polar Surface Area: 123 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 439.0±3.0 cm3

Click to predict properties on the Chemicalize site


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