ChemSpider 2D Image | Methyl (2S)-(2-acetoxy-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)(2-chlorophenyl)acetate | C18H18ClNO4S

Methyl (2S)-(2-acetoxy-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)(2-chlorophenyl)acetate

  • Molecular FormulaC18H18ClNO4S
  • Average mass379.858 Da
  • Monoisotopic mass379.064514 Da
  • ChemSpider ID28518813

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-(2-Acétoxy-6,7-dihydrothiéno[3,2-c]pyridin-5(4H)-yl)(2-chlorophényl)acétate de méthyle [French] [ACD/IUPAC Name]
Methyl (2S)-(2-acetoxy-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)(2-chlorophenyl)acetate [ACD/IUPAC Name]
Methyl-(2S)-(2-acetoxy-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)(2-chlorphenyl)acetat [German] [ACD/IUPAC Name]
Thieno[3,2-c]pyridine-5(4H)-acetic acid, 2-(acetyloxy)-α-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (αS)- [ACD/Index Name]
1314081-53-2 [RN]
methyl (2S)-2-(2-acetyloxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-chlorophenyl)acetate
Vicagrel

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

Density: 1.3±0.1 g/cm3
Boiling Point: 497.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.6±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 96.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 428.45
ACD/KOC (pH 5.5): 2638.41
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 443.01
ACD/KOC (pH 7.4): 2728.03
Polar Surface Area: 84 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 281.9±3.0 cm3

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