ChemSpider 2D Image | Ethyl 2-{[(2,2,3,3-tetramethylcyclopropyl)carbonyl]amino}thieno[2,3-c]pyridine-3-carboxylate | C18H22N2O3S

Ethyl 2-{[(2,2,3,3-tetramethylcyclopropyl)carbonyl]amino}thieno[2,3-c]pyridine-3-carboxylate

  • Molecular FormulaC18H22N2O3S
  • Average mass346.444 Da
  • Monoisotopic mass346.135101 Da
  • ChemSpider ID24808263

More details:

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

2-{[(2,2,3,3-Tétraméthylcyclopropyl)carbonyl]amino}thiéno[2,3-c]pyridine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-{[(2,2,3,3-tetramethylcyclopropyl)carbonyl]amino}thieno[2,3-c]pyridine-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-{[(2,2,3,3-tetramethylcyclopropyl)carbonyl]amino}thieno[2,3-c]pyridin-3-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-c]pyridine-3-carboxylic acid, 2-[[(2,2,3,3-tetramethylcyclopropyl)carbonyl]amino]-, ethyl ester [ACD/Index Name]
Kinome_3848

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

Density: 1.2±0.1 g/cm3
Boiling Point: 528.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.3±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 97.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1564.04
ACD/KOC (pH 5.5): 6700.30
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1588.55
ACD/KOC (pH 7.4): 6805.31
Polar Surface Area: 97 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 279.9±3.0 cm3

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