ChemSpider 2D Image | Ethyl 2-(3-{2-cyano-3-[(2,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C27H25Cl2N3O3S

Ethyl 2-(3-{2-cyano-3-[(2,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC27H25Cl2N3O3S
  • Average mass542.477 Da
  • Monoisotopic mass541.099365 Da
  • ChemSpider ID3520755

More details:

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

2-(3-{2-Cyano-3-[(2,5-dichlorophényl)amino]-3-oxo-1-propén-1-yl}-2,5-diméthyl-1H-pyrrol-1-yl)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[3-[2-cyano-3-[(2,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl]-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl 2-(3-{2-cyano-3-[(2,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-(3-{2-cyan-3-[(2,5-dichlorphenyl)amino]-3-oxo-1-propen-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-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: 1.4±0.1 g/cm3
Boiling Point: 767.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 418.1±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 145.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.35
ACD/LogD (pH 5.5): 7.23
ACD/BCF (pH 5.5): 183659.25
ACD/KOC (pH 5.5): 203944.56
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 7.4): 178625.95
ACD/KOC (pH 7.4): 198355.33
Polar Surface Area: 112 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 396.5±7.0 cm3

Click to predict properties on the Chemicalize site


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