ChemSpider 2D Image | N-Benzyl-2-{(E)-[(5-methyl-2-phenyl-1H-indol-3-yl)methylene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | C32H29N3OS

N-Benzyl-2-{(E)-[(5-methyl-2-phenyl-1H-indol-3-yl)methylene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

  • Molecular FormulaC32H29N3OS
  • Average mass503.657 Da
  • Monoisotopic mass503.203125 Da
  • ChemSpider ID79532445

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzo[b]thiophene-3-carboxamide, 4,5,6,7-tetrahydro-2-[[(1E)-(5-methyl-2-phenyl-1H-indol-3-yl)methylene]amino]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-2-{(E)-[(5-methyl-2-phenyl-1H-indol-3-yl)methylen]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxamid [German] [ACD/IUPAC Name]
N-Benzyl-2-{(E)-[(5-methyl-2-phenyl-1H-indol-3-yl)methylene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide [ACD/IUPAC Name]
N-Benzyl-2-{(E)-[(5-méthyl-2-phényl-1H-indol-3-yl)méthylène]amino}-4,5,6,7-tétrahydro-1-benzothiophène-3-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: 777.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 424.1±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 152.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.51
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 216809.42
ACD/KOC (pH 5.5): 229481.58
ACD/LogD (pH 7.4): 7.33
ACD/BCF (pH 7.4): 217490.59
ACD/KOC (pH 7.4): 230202.55
Polar Surface Area: 85 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 401.0±7.0 cm3

Click to predict properties on the Chemicalize site


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