ChemSpider 2D Image | Ethyl 3-[(ethoxycarbonyl)carbamoyl]-2-{[4-(4-morpholinylsulfonyl)benzoyl]amino}-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate | C25H30N4O9S2

Ethyl 3-[(ethoxycarbonyl)carbamoyl]-2-{[4-(4-morpholinylsulfonyl)benzoyl]amino}-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate

  • Molecular FormulaC25H30N4O9S2
  • Average mass594.657 Da
  • Monoisotopic mass594.145447 Da
  • ChemSpider ID3307792

More details:

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

3-[(Éthoxycarbonyl)carbamoyl]-2-{[4-(4-morpholinylsulfonyl)benzoyl]amino}-4,7-dihydrothiéno[2,3-c]pyridine-6(5H)-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-[(ethoxycarbonyl)carbamoyl]-2-{[4-(4-morpholinylsulfonyl)benzoyl]amino}-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate [ACD/IUPAC Name]
Ethyl-3-[(ethoxycarbonyl)carbamoyl]-2-{[4-(4-morpholinylsulfonyl)benzoyl]amino}-4,7-dihydrothieno[2,3-c]pyridin-6(5H)-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-c]pyridine-6(5H)-carboxylic acid, 3-[[(ethoxycarbonyl)amino]carbonyl]-4,7-dihydro-2-[[4-(4-morpholinylsulfonyl)benzoyl]amino]-, 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: 1.617
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 88.28
ACD/KOC (pH 5.5): 859.94
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 88.13
ACD/KOC (pH 7.4): 858.44
Polar Surface Area: 197 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 413.0±3.0 cm3

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