ChemSpider 2D Image | Ethyl 5-(dimethylcarbamoyl)-4-methyl-2-({[(4-nitrobenzoyl)oxy]acetyl}amino)-3-thiophenecarboxylate | C20H21N3O8S

Ethyl 5-(dimethylcarbamoyl)-4-methyl-2-({[(4-nitrobenzoyl)oxy]acetyl}amino)-3-thiophenecarboxylate

  • Molecular FormulaC20H21N3O8S
  • Average mass463.461 Da
  • Monoisotopic mass463.104950 Da
  • ChemSpider ID22436788

More details:

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

3-Thiophenecarboxylic acid, 5-[(dimethylamino)carbonyl]-4-methyl-2-[[2-[(4-nitrobenzoyl)oxy]acetyl]amino]-, ethyl ester [ACD/Index Name]
5-(Diméthylcarbamoyl)-4-méthyl-2-({2-[(4-nitrobenzoyl)oxy]acétyl}amino)-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(dimethylcarbamoyl)-4-methyl-2-({[(4-nitrobenzoyl)oxy]acetyl}amino)-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-5-(dimethylcarbamoyl)-4-methyl-2-({[(4-nitrobenzoyl)oxy]acetyl}amino)-3-thiophencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 726.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 393.1±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 116.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 188.23
ACD/KOC (pH 5.5): 1478.53
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 188.20
ACD/KOC (pH 7.4): 1478.33
Polar Surface Area: 176 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 332.1±3.0 cm3

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