ChemSpider 2D Image | 6-Benzyl-2-{[4-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)benzoyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide | C31H30N4O4S2

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

  • Molecular FormulaC31H30N4O4S2
  • Average mass586.724 Da
  • Monoisotopic mass586.170837 Da
  • ChemSpider ID3367034

More details:

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

6-Benzyl-2-{[4-(3,4-dihydro-2(1H)-isochinolinylsulfonyl)benzoyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-carboxamid [German] [ACD/IUPAC Name]
6-Benzyl-2-{[4-(3,4-dihydro-2(1H)-isoquinoléinylsulfonyl)benzoyl]amino}-4,5,6,7-tétrahydrothiéno[2,3-c]pyridine-3-carboxamide [French] [ACD/IUPAC Name]
6-Benzyl-2-{[4-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)benzoyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide [ACD/IUPAC Name]
Thieno[2,3-c]pyridine-3-carboxamide, 2-[[4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]benzoyl]amino]-4,5,6,7-tetrahydro-6-(phenylmethyl)- [ACD/Index Name]
6-benzyl-2-(4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide

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: 1.695
Molar Refractivity: 160.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 588.33
ACD/KOC (pH 5.5): 1974.07
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3514.23
ACD/KOC (pH 7.4): 11791.55
Polar Surface Area: 149 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 417.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement