Found 2 results

Search term: MF = 'C_{22}H_{17}ClF_{3}N_{9}O_{2}'
ChemSpider 2D Image | 6-[(6-Chloro-2-methyl-2H-indazol-5-yl)amino]-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-(3,4,5-trifluorobenzyl)-1,3,5-triazine-2,4(1H,3H)-dione | C22H17ClF3N9O2

6-[(6-Chloro-2-methyl-2H-indazol-5-yl)amino]-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-(3,4,5-trifluorobenzyl)-1,3,5-triazine-2,4(1H,3H)-dione

  • Molecular FormulaC22H17ClF3N9O2
  • Average mass531.878 Da
  • Monoisotopic mass531.114563 Da
  • ChemSpider ID129270722

More details:

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

1,3,5-Triazine-2,4(1H,3H)-dione, 6-[(6-chloro-2-methyl-2H-indazol-5-yl)amino]-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[(3,4,5-trifluorophenyl)methyl]- [ACD/Index Name]
6-[(6-Chlor-2-methyl-2H-indazol-5-yl)amino]-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-(3,4,5-trifluorbenzyl)-1,3,5-triazin-2,4(1H,3H)-dion [German] [ACD/IUPAC Name]
6-[(6-Chloro-2-methyl-2H-indazol-5-yl)amino]-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-(3,4,5-trifluorobenzyl)-1,3,5-triazine-2,4(1H,3H)-dione [ACD/IUPAC Name]
6-[(6-Chloro-2-méthyl-2H-indazol-5-yl)amino]-3-[(1-méthyl-1H-1,2,4-triazol-3-yl)méthyl]-1-(3,4,5-trifluorobenzyl)-1,3,5-triazine-2,4(1H,3H)-dione [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 696.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.7±34.3 °C
Index of Refraction: 1.727
Molar Refractivity: 127.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.24
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.61
ACD/KOC (pH 5.5): 175.46
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.69
ACD/KOC (pH 7.4): 176.90
Polar Surface Area: 114 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 321.2±7.0 cm3

Click to predict properties on the Chemicalize site


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