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Search term: GVVJOKYQMUHTSK-LBOYIXSDCQ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Diethyl 2-[(4-benzoylbenzoyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate | C27H26N2O6S

Diethyl 2-[(4-benzoylbenzoyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate

  • Molecular FormulaC27H26N2O6S
  • Average mass506.570 Da
  • Monoisotopic mass506.151154 Da
  • ChemSpider ID3411176

More details:






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

2-[(4-Benzoylbenzoyl)amino]-4,7-dihydrothiéno[2,3-c]pyridine-3,6(5H)-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 2-[(4-benzoylbenzoyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate [ACD/IUPAC Name]
Diethyl-2-[(4-benzoylbenzoyl)amino]-4,7-dihydrothieno[2,3-c]pyridin-3,6(5H)-dicarboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-c]pyridine-3,6(5H)-dicarboxylic acid, 2-[(4-benzoylbenzoyl)amino]-4,7-dihydro-, diethyl ester [ACD/Index Name]
diethyl 2-(4-benzoylbenzamido)-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 637.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 339.1±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5437.58
ACD/KOC (pH 5.5): 16420.86
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5437.38
ACD/KOC (pH 7.4): 16420.25
Polar Surface Area: 130 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 382.3±3.0 cm3

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