ChemSpider 2D Image | Ethyl 2-{[4-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)benzoyl]amino}-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate | C28H31N3O5S2

Ethyl 2-{[4-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)benzoyl]amino}-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

  • Molecular FormulaC28H31N3O5S2
  • Average mass553.693 Da
  • Monoisotopic mass553.170532 Da
  • ChemSpider ID2907890

More details:

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

2-{[4-(3,4-Dihydro-2(1H)-isoquinoléinylsulfonyl)benzoyl]amino}-6-éthyl-4,5,6,7-tétrahydrothiéno[2,3-c]pyridine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-{[4-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)benzoyl]amino}-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-{[4-(3,4-dihydro-2(1H)-isochinolinylsulfonyl)benzoyl]amino}-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-c]pyridine-3-carboxylic acid, 2-[[4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]benzoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
ethyl 2-(4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamido)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

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

EU-0095217 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 291.89
ACD/KOC (pH 5.5): 713.04
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 7659.71
ACD/KOC (pH 7.4): 18711.56
Polar Surface Area: 133 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 412.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement