ChemSpider 2D Image | 5-[2-(1-Methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2(1H)-isoquinolinesulfonamide | C23H20F3N5O2S2

5-[2-(1-Methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2(1H)-isoquinolinesulfonamide

  • Molecular FormulaC23H20F3N5O2S2
  • Average mass519.562 Da
  • Monoisotopic mass519.101074 Da
  • ChemSpider ID58929894

More details:

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

2(1H)-Isoquinolinesulfonamide, 3,4-dihydro-5-[2-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]-N-2-thiazolyl- [ACD/Index Name]
5-[2-(1-Methyl-1H-pyrazol-5-yl)-4-(trifluormethyl)phenyl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2(1H)-isochinolinsulfonamid [German] [ACD/IUPAC Name]
5-[2-(1-Méthyl-1H-pyrazol-5-yl)-4-(trifluorométhyl)phényl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2(1H)-isoquinoléinesulfonamide [French] [ACD/IUPAC Name]
5-[2-(1-Methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2(1H)-isoquinolinesulfonamide [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: 639.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.4±34.3 °C
Index of Refraction: 1.684
Molar Refractivity: 130.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 794.23
ACD/KOC (pH 5.5): 3815.71
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 48.08
ACD/KOC (pH 7.4): 231.00
Polar Surface Area: 117 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 343.5±7.0 cm3

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