ChemSpider 2D Image | Methyl 2-{[(2Z)-3-phenyl-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C19H19NO3S

Methyl 2-{[(2Z)-3-phenyl-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC19H19NO3S
  • Average mass341.424 Da
  • Monoisotopic mass341.108551 Da
  • ChemSpider ID30654745

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[(2Z)-3-Phényl-2-propenoyl]amino}-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(2Z)-1-oxo-3-phenyl-2-propen-1-yl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-{[(2Z)-3-phenyl-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Methyl-2-{[(2Z)-3-phenyl-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [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: 590.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 310.9±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 98.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3935.67
ACD/KOC (pH 5.5): 13028.90
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3935.66
ACD/KOC (pH 7.4): 13028.87
Polar Surface Area: 84 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 265.6±3.0 cm3

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