Found 1 result

Search term: ZZQVZHXOXZIEHC-HXUWFJFHSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 6-Chloro-2-(cyclopropylsulfonyl)-N-(4-isoquinolinyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide | C22H20ClN3O3S

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

  • Molecular FormulaC22H20ClN3O3S
  • Average mass441.931 Da
  • Monoisotopic mass441.091400 Da
  • ChemSpider ID114911070

More details:

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

4-Isoquinolinecarboxamide, 6-chloro-2-(cyclopropylsulfonyl)-1,2,3,4-tetrahydro-N-4-isoquinolinyl- [ACD/Index Name]
6-Chlor-2-(cyclopropylsulfonyl)-N-(4-isochinolinyl)-1,2,3,4-tetrahydro-4-isochinolincarboxamid [German] [ACD/IUPAC Name]
6-Chloro-2-(cyclopropylsulfonyl)-N-(4-isoquinoléinyl)-1,2,3,4-tétrahydro-4-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
6-Chloro-2-(cyclopropylsulfonyl)-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.719
Molar Refractivity: 116.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 289.33
ACD/KOC (pH 5.5): 1944.69
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 325.16
ACD/KOC (pH 7.4): 2185.53
Polar Surface Area: 88 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 75.8±5.0 dyne/cm
Molar Volume: 294.9±5.0 cm3

Click to predict properties on the Chemicalize site


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