ChemSpider 2D Image | Ethyl 2-[(diphenylacetyl)amino]-4H-indeno[1,2-b]thiophene-3-carboxylate | C28H23NO3S

Ethyl 2-[(diphenylacetyl)amino]-4H-indeno[1,2-b]thiophene-3-carboxylate

  • Molecular FormulaC28H23NO3S
  • Average mass453.552 Da
  • Monoisotopic mass453.139862 Da
  • ChemSpider ID22749739

More details:

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

2-[(2,2-Diphénylacétyl)amino]-4H-indéno[1,2-b]thiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
4H-Indeno[1,2-b]thiophene-3-carboxylic acid, 2-[(2,2-diphenylacetyl)amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-[(diphenylacetyl)amino]-4H-indeno[1,2-b]thiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-[(diphenylacetyl)amino]-4H-indeno[1,2-b]thiophen-3-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 691.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.2±31.5 °C
Index of Refraction: 1.677
Molar Refractivity: 131.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.12
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 79708.22
ACD/KOC (pH 5.5): 112221.36
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 79707.95
ACD/KOC (pH 7.4): 112220.99
Polar Surface Area: 84 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 349.8±3.0 cm3

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