Found 1 result

Search term: POHNQKSSAWVPGD-LJQANCHMSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 6-Chloro-2-(dimethylsulfamoyl)-N-(4-isoquinolinyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide | C21H21ClN4O3S

6-Chloro-2-(dimethylsulfamoyl)-N-(4-isoquinolinyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide

  • Molecular FormulaC21H21ClN4O3S
  • Average mass444.934 Da
  • Monoisotopic mass444.102295 Da
  • ChemSpider ID114911069

More details:

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

4-Isoquinolinecarboxamide, 6-chloro-2-[(dimethylamino)sulfonyl]-1,2,3,4-tetrahydro-N-4-isoquinolinyl- [ACD/Index Name]
6-Chlor-2-(dimethylsulfamoyl)-N-(4-isochinolinyl)-1,2,3,4-tetrahydro-4-isochinolincarboxamid [German] [ACD/IUPAC Name]
6-Chloro-2-(diméthylsulfamoyl)-N-(4-isoquinoléinyl)-1,2,3,4-tétrahydro-4-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
6-Chloro-2-(dimethylsulfamoyl)-N-(4-isoquinolinyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 698.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.3±31.5 °C
Index of Refraction: 1.704
Molar Refractivity: 117.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 75.94
ACD/KOC (pH 5.5): 746.37
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 85.39
ACD/KOC (pH 7.4): 839.30
Polar Surface Area: 91 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 303.3±5.0 cm3

Click to predict properties on the Chemicalize site


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