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

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

  • Molecular FormulaC32H34N2O6S
  • Average mass574.687 Da
  • Monoisotopic mass574.213745 Da
  • ChemSpider ID2553600

More details:

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

2-[(3-{5-[4-(Butoxycarbonyl)phényl]-2-furyl}-2-cyanoacryloyl)amino]-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate de butyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[[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-[(3-{5-[4-(butoxycarbonyl)phenyl]-2-furyl}-2-cyanoacryloyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Butyl-2-[(3-{5-[4-(butoxycarbonyl)phenyl]-2-furyl}-2-cyanacryloyl)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: 1.2±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): 1397099.75
ACD/LogD (pH 7.4): 8.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1382124.88
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

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