ChemSpider 2D Image | N-[3-Carbamoyl-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methylbenzyl)-1-benzothiophene-2-carboxamide | C30H32N2O2S2

N-[3-Carbamoyl-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methylbenzyl)-1-benzothiophene-2-carboxamide

  • Molecular FormulaC30H32N2O2S2
  • Average mass516.717 Da
  • Monoisotopic mass516.190491 Da
  • ChemSpider ID32098772

More details:

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

Benzo[b]thiophene-2-carboxamide, N-[3-(aminocarbonyl)-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-3-[(4-methylphenyl)methyl]- [ACD/Index Name]
N-[3-Carbamoyl-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methylbenzyl)-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
N-[3-Carbamoyl-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methylbenzyl)-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
N-[3-Carbamoyl-6-(2-méthyl-2-propanyl)-4,5,6,7-tétrahydro-1-benzothiophén-2-yl]-3-(4-méthylbenzyl)-1-benzothiophène-2-carboxamide [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: 604.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.5±31.5 °C
Index of Refraction: 1.674
Molar Refractivity: 153.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 10.63
ACD/LogD (pH 5.5): 8.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 869839.81
ACD/LogD (pH 7.4): 8.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 869834.13
Polar Surface Area: 129 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 408.8±3.0 cm3

Click to predict properties on the Chemicalize site


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