ChemSpider 2D Image | Ethyl 2-{[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)benzoyl]amino}-3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate | C32H33N5O6S2

Ethyl 2-{[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)benzoyl]amino}-3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate

  • Molecular FormulaC32H33N5O6S2
  • Average mass647.764 Da
  • Monoisotopic mass647.187195 Da
  • ChemSpider ID4190551

More details:

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

2-{[4-(3,4-Dihydro-1(2H)-quinoléinylsulfonyl)benzoyl]amino}-3-[(3,5-diméthyl-1H-pyrazol-1-yl)carbonyl]-4,7-dihydrothiéno[2,3-c]pyridine-6(5H)-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-{[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)benzoyl]amino}-3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate [ACD/IUPAC Name]
Ethyl-2-{[4-(3,4-dihydro-1(2H)-chinolinylsulfonyl)benzoyl]amino}-3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-4,7-dihydrothieno[2,3-c]pyridin-6(5H)-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-c]pyridine-6(5H)-carboxylic acid, 2-[[4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoyl]amino]-3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-4,7-dihydro-, 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: 1.703
Molar Refractivity: 173.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 7986.41
ACD/KOC (pH 5.5): 21621.89
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 7985.50
ACD/KOC (pH 7.4): 21619.42
Polar Surface Area: 168 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 60.2±7.0 dyne/cm
Molar Volume: 447.8±7.0 cm3

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