ChemSpider 2D Image | Ethyl 2-{[2-(biphenyl-4-yloxy)propanoyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C30H35NO4S

Ethyl 2-{[2-(biphenyl-4-yloxy)propanoyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC30H35NO4S
  • Average mass505.668 Da
  • Monoisotopic mass505.228668 Da
  • ChemSpider ID3287129

More details:






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

2-{[2-(4-Biphénylyloxy)propanoyl]amino}-6-(2-méthyl-2-propanyl)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[[2-([1,1'-biphenyl]-4-yloxy)-1-oxopropyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl 2-{[2-(4-biphenylyloxy)propanoyl]amino}-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl 2-{[2-(biphenyl-4-yloxy)propanoyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Ethyl-2-{[2-(4-biphenylyloxy)propanoyl]amino}-6-(2-methyl-2-propanyl)-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

Density: 1.2±0.1 g/cm3
Boiling Point: 696.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.3±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 145.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.22
ACD/LogD (pH 5.5): 8.04
ACD/BCF (pH 5.5): 756314.88
ACD/KOC (pH 5.5): 561752.63
ACD/LogD (pH 7.4): 8.04
ACD/BCF (pH 7.4): 756311.56
ACD/KOC (pH 7.4): 561750.13
Polar Surface Area: 93 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 430.0±3.0 cm3

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