ChemSpider 2D Image | 4-(5-Amino-6-(1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazin-2-yl)-N-cyclopropyl-N-methylbenzenesulfonamide | C23H23N5O3S

4-(5-Amino-6-(1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazin-2-yl)-N-cyclopropyl-N-methylbenzenesulfonamide

  • Molecular FormulaC23H23N5O3S
  • Average mass449.525 Da
  • Monoisotopic mass449.152161 Da
  • ChemSpider ID57420858

More details:

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

1396771-17-7 [RN]
4-(5-Amino-6-(1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazin-2-yl)-N-cyclopropyl-N-methylbenzenesulfonamide
4-[5-Amino-6-(1-oxo-1,2,3,4-tetrahydro-6-isochinolinyl)-2-pyrazinyl]-N-cyclopropyl-N-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
4-[5-Amino-6-(1-oxo-1,2,3,4-tétrahydro-6-isoquinoléinyl)-2-pyrazinyl]-N-cyclopropyl-N-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
4-[5-Amino-6-(1-oxo-1,2,3,4-tetrahydro-6-isoquinolinyl)-2-pyrazinyl]-N-cyclopropyl-N-methylbenzenesulfonamide [ACD/IUPAC Name]
Benzenesulfonamide, 4-[5-amino-6-(1,2,3,4-tetrahydro-1-oxo-6-isoquinolinyl)-2-pyrazinyl]-N-cyclopropyl-N-methyl- [ACD/Index Name]
4-[5-amino-6-(1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzene-1-sulfonamide
4-[5-amino-6-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)pyrazin-2-yl]-N-cyclopropyl-N-methylbenzenesulfonamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4514310/
MFCD25976720

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: 1.721
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 54.02
ACD/KOC (pH 5.5): 604.96
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 54.04
ACD/KOC (pH 7.4): 605.18
Polar Surface Area: 127 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 84.8±5.0 dyne/cm
Molar Volume: 303.8±5.0 cm3

Click to predict properties on the Chemicalize site


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