Found 116 results

Search term: MF = 'C_{27}H_{25}Cl_{2}N_{3}O_{3}S'
ChemSpider 2D Image | Ethyl 2-(3-{(1E)-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-{(1E)-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 ID1292536

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(3-{(1E)-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-[(1E)-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-{(1E)-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-{(1E)-2-cyano-3-[(2,5-dichlorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Ethyl-2-(3-{(1E)-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]
2-{3-[2-Cyano-2-(2,5-dichloro-phenylcarbamoyl)-vinyl]-2,5-dimethyl-pyrrol-1-yl}-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
340313-69-1 [RN]
ethyl 2-[3-[(E)-2-cyano-3-(2,5-dichloroanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{3-[2-cyano-3-(2,5-dichloroanilino)-3-oxo-1-propenyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

    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): 183713.09
    ACD/KOC (pH 5.5): 204004.36
    ACD/LogD (pH 7.4): 7.23
    ACD/BCF (pH 7.4): 182773.33
    ACD/KOC (pH 7.4): 202960.80
    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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