ChemSpider 2D Image | 2-{2,5-Dimethyl-1-[2-(2-thienyl)ethyl]-1H-pyrrol-3-yl}-2-oxoethyl 4-amino-3,5,6-trichloro-2-pyridinecarboxylate | C20H18Cl3N3O3S

2-{2,5-Dimethyl-1-[2-(2-thienyl)ethyl]-1H-pyrrol-3-yl}-2-oxoethyl 4-amino-3,5,6-trichloro-2-pyridinecarboxylate

  • Molecular FormulaC20H18Cl3N3O3S
  • Average mass486.799 Da
  • Monoisotopic mass485.013458 Da
  • ChemSpider ID22030470

More details:

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

2-{2,5-Dimethyl-1-[2-(2-thienyl)ethyl]-1H-pyrrol-3-yl}-2-oxoethyl 4-amino-3,5,6-trichloro-2-pyridinecarboxylate [ACD/IUPAC Name]
2-{2,5-Dimethyl-1-[2-(2-thienyl)ethyl]-1H-pyrrol-3-yl}-2-oxoethyl-4-amino-3,5,6-trichlor-2-pyridincarboxylat [German] [ACD/IUPAC Name]
2-Pyridinecarboxylic acid, 4-amino-3,5,6-trichloro-, 2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]-1H-pyrrol-3-yl]-2-oxoethyl ester [ACD/Index Name]
4-Amino-3,5,6-trichloro-2-pyridinecarboxylate de 2-{2,5-diméthyl-1-[2-(2-thiényl)éthyl]-1H-pyrrol-3-yl}-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 704.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 379.9±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 120.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5261.31
ACD/KOC (pH 5.5): 16038.05
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5261.31
ACD/KOC (pH 7.4): 16038.05
Polar Surface Area: 115 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 322.8±7.0 cm3

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