ChemSpider 2D Image | Ethyl 2-({4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl}amino)-3-[(methoxycarbonyl)carbamoyl]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate | C25H30N4O9S2

Ethyl 2-({4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl}amino)-3-[(methoxycarbonyl)carbamoyl]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate

  • Molecular FormulaC25H30N4O9S2
  • Average mass594.657 Da
  • Monoisotopic mass594.145447 Da
  • ChemSpider ID2506210

More details:

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

2-({4-[(4,4-Diméthyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl}amino)-3-[(méthoxycarbonyl)carbamoyl]-4,7-dihydrothiéno[2,3-c]pyridine-6(5H)-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-({4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl}amino)-3-[(methoxycarbonyl)carbamoyl]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate [ACD/IUPAC Name]
Ethyl-2-({4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl}amino)-3-[(methoxycarbonyl)carbamoyl]-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-[(4,4-dimethyl-3-oxazolidinyl)sulfonyl]benzoyl]amino]-4,7-dihydro-3-[[(methoxycarbonyl)amino]carbonyl]-, 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: 1.609
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.76
ACD/KOC (pH 5.5): 696.49
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.54
ACD/KOC (pH 7.4): 694.14
Polar Surface Area: 197 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 417.2±3.0 cm3

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