ChemSpider 2D Image | 4-Ethyl 2-(2-methoxyethyl) 5-[(3,4-dimethoxybenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate | C21H25NO8S

4-Ethyl 2-(2-methoxyethyl) 5-[(3,4-dimethoxybenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate

  • Molecular FormulaC21H25NO8S
  • Average mass451.490 Da
  • Monoisotopic mass451.130096 Da
  • ChemSpider ID27297228

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[(3,4-dimethoxybenzoyl)amino]-3-methyl-, 4-ethyl 2-(2-methoxyethyl) ester [ACD/Index Name]
4-Ethyl 2-(2-methoxyethyl) 5-[(3,4-dimethoxybenzoyl)amino]-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
4-Ethyl-2-(2-methoxyethyl)-5-[(3,4-dimethoxybenzoyl)amino]-3-methyl-2,4-thiophendicarboxylat [German] [ACD/IUPAC Name]
5-[(3,4-Diméthoxybenzoyl)amino]-3-méthyl-2,4-thiophènedicarboxylate de 4-éthyle et de 2-(2-méthoxyéthyle) [French] [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: 507.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 260.9±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 116.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 875.09
ACD/KOC (pH 5.5): 4441.41
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 875.05
ACD/KOC (pH 7.4): 4441.24
Polar Surface Area: 138 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 353.7±3.0 cm3

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