ChemSpider 2D Image | 4-(3,4-Dihydro-2(1H)-isoquinolinylsulfonyl)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]benzamide | C28H31N3O5S2

4-(3,4-Dihydro-2(1H)-isoquinolinylsulfonyl)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]benzamide

  • Molecular FormulaC28H31N3O5S2
  • Average mass553.693 Da
  • Monoisotopic mass553.170532 Da
  • ChemSpider ID3129019

More details:

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

4-(3,4-Dihydro-2(1H)-isochinolinylsulfonyl)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]benzamid [German] [ACD/IUPAC Name]
4-(3,4-Dihydro-2(1H)-isoquinoléinylsulfonyl)-N-[2-méthyl-5-(1-pipéridinylsulfonyl)phényl]benzamide [French] [ACD/IUPAC Name]
4-(3,4-Dihydro-2(1H)-isoquinolinylsulfonyl)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]benzamide [ACD/IUPAC Name]
Benzamide, 4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]- [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: 1.649
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2000.15
ACD/KOC (pH 5.5): 8025.97
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2000.11
ACD/KOC (pH 7.4): 8025.81
Polar Surface Area: 121 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 405.1±3.0 cm3

Click to predict properties on the Chemicalize site


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