ChemSpider 2D Image | Methyl 5-(diethylcarbamoyl)-4-methyl-2-[(3,4,5-triethoxybenzoyl)amino]-3-thiophenecarboxylate | C25H34N2O7S

Methyl 5-(diethylcarbamoyl)-4-methyl-2-[(3,4,5-triethoxybenzoyl)amino]-3-thiophenecarboxylate

  • Molecular FormulaC25H34N2O7S
  • Average mass506.612 Da
  • Monoisotopic mass506.208679 Da
  • ChemSpider ID3150082

More details:

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

3-Thiophenecarboxylic acid, 5-[(diethylamino)carbonyl]-4-methyl-2-[(3,4,5-triethoxybenzoyl)amino]-, methyl ester [ACD/Index Name]
5-(Diéthylcarbamoyl)-4-méthyl-2-[(3,4,5-triéthoxybenzoyl)amino]-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-(diethylcarbamoyl)-4-methyl-2-[(3,4,5-triethoxybenzoyl)amino]-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-5-(diethylcarbamoyl)-4-methyl-2-[(3,4,5-triethoxybenzoyl)amino]-3-thiophencarboxylat [German] [ACD/IUPAC Name]
methyl 5-(diethylcarbamoyl)-4-methyl-2-{[(3,4,5-triethoxyphenyl)carbonyl]amino}thiophene-3-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 613.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 324.6±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 137.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3895.61
ACD/KOC (pH 5.5): 12933.83
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3895.42
ACD/KOC (pH 7.4): 12933.22
Polar Surface Area: 132 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 421.8±3.0 cm3

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