ChemSpider 2D Image | Ethyl 6-benzyl-2-{[4-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)benzoyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate | C33H33N3O5S2

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

  • Molecular FormulaC33H33N3O5S2
  • Average mass615.762 Da
  • Monoisotopic mass615.186157 Da
  • ChemSpider ID2526410

More details:

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

6-Benzyl-2-{[4-(3,4-dihydro-2(1H)-isoquinoléinylsulfonyl)benzoyl]amino}-4,5,6,7-tétrahydrothiéno[2,3-c]pyridine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-benzyl-2-{[4-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)benzoyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate [ACD/IUPAC Name]
Ethyl-6-benzyl-2-{[4-(3,4-dihydro-2(1H)-isochinolinylsulfonyl)benzoyl]amino}-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]-4,5,6,7-tetrahydro-6-(phenylmethyl)-, ethyl ester [ACD/Index Name]
ethyl 6-benzyl-2-(4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

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: 1.663
Molar Refractivity: 168.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 14368.14
ACD/KOC (pH 5.5): 20788.97
ACD/LogD (pH 7.4): 6.68
ACD/BCF (pH 7.4): 68887.96
ACD/KOC (pH 7.4): 99672.58
Polar Surface Area: 133 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 453.5±3.0 cm3

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