ChemSpider 2D Image | Methyl (2S)-(2-chlorophenyl)[(7aR)-2-oxo-2,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5(4H)-yl]acetate | C16H16ClNO3S

Methyl (2S)-(2-chlorophenyl)[(7aR)-2-oxo-2,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5(4H)-yl]acetate

  • Molecular FormulaC16H16ClNO3S
  • Average mass337.821 Da
  • Monoisotopic mass337.053955 Da
  • ChemSpider ID32790021

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-(2-Chlorophényl)[(7aR)-2-oxo-2,6,7,7a-tétrahydrothiéno[3,2-c]pyridin-5(4H)-yl]acétate de méthyle [French] [ACD/IUPAC Name]
Methyl (2S)-(2-chlorophenyl)[(7aR)-2-oxo-2,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5(4H)-yl]acetate [ACD/IUPAC Name]
Methyl-(2S)-(2-chlorphenyl)[(7aR)-2-oxo-2,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5(4H)-yl]acetat [German] [ACD/IUPAC Name]
Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-2,6,7,7a-tetrahydro-2-oxo-, methyl ester, (αS,7aR)- [ACD/Index Name]
1416696-48-4 [RN]
Unii-0JQ0C159QQ

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 488.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 249.0±28.7 °C
Index of Refraction: 1.640
Molar Refractivity: 87.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.45
ACD/KOC (pH 5.5): 1165.57
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 136.54
ACD/KOC (pH 7.4): 1174.94
Polar Surface Area: 72 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 242.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement