ChemSpider 2D Image | Ethyl 5-(4,4-dimethyl-2-pentanyl)-2-[(2-ethoxybenzoyl)amino]-3-thiophenecarboxylate | C23H31NO4S

Ethyl 5-(4,4-dimethyl-2-pentanyl)-2-[(2-ethoxybenzoyl)amino]-3-thiophenecarboxylate

  • Molecular FormulaC23H31NO4S
  • Average mass417.561 Da
  • Monoisotopic mass417.197388 Da
  • ChemSpider ID22749735

More details:

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

3-Thiophenecarboxylic acid, 2-[(2-ethoxybenzoyl)amino]-5-(1,3,3-trimethylbutyl)-, ethyl ester [ACD/Index Name]
5-(4,4-Diméthyl-2-pentanyl)-2-[(2-éthoxybenzoyl)amino]-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(4,4-dimethyl-2-pentanyl)-2-[(2-ethoxybenzoyl)amino]-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-5-(4,4-dimethyl-2-pentanyl)-2-[(2-ethoxybenzoyl)amino]-3-thiophencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 483.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 246.2±28.7 °C
Index of Refraction: 1.562
Molar Refractivity: 119.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 6.44
ACD/BCF (pH 5.5): 45842.89
ACD/KOC (pH 5.5): 75530.33
ACD/LogD (pH 7.4): 6.44
ACD/BCF (pH 7.4): 45842.70
ACD/KOC (pH 7.4): 75530.00
Polar Surface Area: 93 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 368.8±3.0 cm3

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