ChemSpider 2D Image | Ethyl 2-[({[1-(2-ethoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate | C25H32N6O4S2

Ethyl 2-[({[1-(2-ethoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

  • Molecular FormulaC25H32N6O4S2
  • Average mass544.689 Da
  • Monoisotopic mass544.192627 Da
  • ChemSpider ID21963930

More details:

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

2-[(2-{[1-(2-Éthoxyphényl)-1H-tétrazol-5-yl]sulfanyl}acétyl)amino]-5,5,7,7-tétraméthyl-4,5,6,7-tétrahydrothiéno[2,3-c]pyridine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-[({[1-(2-ethoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-[({[1-(2-ethoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-c]pyridine-3-carboxylic acid, 2-[[2-[[1-(2-ethoxyphenyl)-1H-tetrazol-5-yl]thio]acetyl]amino]-4,5,6,7-tetrahydro-5,5,7,7-tetramethyl-, ethyl ester [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 146.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 4.66
ACD/KOC (pH 5.5): 19.35
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 227.26
ACD/KOC (pH 7.4): 943.06
Polar Surface Area: 174 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 396.8±7.0 cm3

Click to predict properties on the Chemicalize site


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