ChemSpider 2D Image | Butyl 2-{[(2E)-3-{5-[4-(butoxycarbonyl)phenyl]-2-furyl}-2-cyano-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C32H34N2O6S

Butyl 2-{[(2E)-3-{5-[4-(butoxycarbonyl)phenyl]-2-furyl}-2-cyano-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC32H34N2O6S
  • Average mass574.687 Da
  • Monoisotopic mass574.213745 Da
  • ChemSpider ID4702071

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[(2E)-3-{5-[4-(Butoxycarbonyl)phényl]-2-furyl}-2-cyano-2-propenoyl]amino}-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate de butyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[[(2E)-3-[5-[4-(butoxycarbonyl)phenyl]-2-furanyl]-2-cyano-1-oxo-2-propen-1-yl]amino]-4,5,6,7-tetrahydro-, butyl ester [ACD/Index Name]
Butyl 2-{[(2E)-3-{5-[4-(butoxycarbonyl)phenyl]-2-furyl}-2-cyano-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Butyl 2-{[(2E)-3-{5-[4-(butoxycarbonyl)phenyl]-2-furyl}-2-cyanoprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Butyl-2-{[(2E)-3-{5-[4-(butoxycarbonyl)phenyl]-2-furyl}-2-cyan-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
(E)-butyl 2-(3-(5-(4-(butoxycarbonyl)phenyl)furan-2-yl)-2-cyanoacrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
488795-62-6 [RN]
butyl 2-((2E)-3-{5-[4-(butoxycarbonyl)phenyl](2-furyl)}-2-cyanoprop-2-enoylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
butyl 2-[[(E)-3-[5-(4-butoxycarbonylphenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
butyl 2-{[(2E)-3-{5-[4-(butoxycarbonyl)phenyl]furan-2-yl}-2-cyanoprop-2-enoyl]amino}-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: 1.2±0.1 g/cm3
    Boiling Point: 776.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 113.0±3.0 kJ/mol
    Flash Point: 423.3±32.9 °C
    Index of Refraction: 1.608
    Molar Refractivity: 159.1±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 2
    ACD/LogP: 10.95
    ACD/LogD (pH 5.5): 8.77
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 1397257.75
    ACD/LogD (pH 7.4): 8.76
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 1394502.13
    Polar Surface Area: 147 Å2
    Polarizability: 63.1±0.5 10-24cm3
    Surface Tension: 52.5±3.0 dyne/cm
    Molar Volume: 460.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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