ChemSpider 2D Image | (6E)-6-[(6-Chloro-2-methyl-2H-indazol-5-yl)imino]-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-(2,4,5-trifluorobenzyl)-1,3,5-triazinane-2,4-dione | C22H17ClF3N9O2

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

  • Molecular FormulaC22H17ClF3N9O2
  • Average mass531.878 Da
  • Monoisotopic mass531.114563 Da
  • ChemSpider ID115007411

More details:

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

(6E)-6-[(6-Chlor-2-methyl-2H-indazol-5-yl)imino]-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-(2,4,5-trifluorbenzyl)-1,3,5-triazinan-2,4-dion [German] [ACD/IUPAC Name]
(6E)-6-[(6-Chloro-2-methyl-2H-indazol-5-yl)imino]-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-(2,4,5-trifluorobenzyl)-1,3,5-triazinane-2,4-dione [ACD/IUPAC Name]
(6E)-6-[(6-Chloro-2-méthyl-2H-indazol-5-yl)imino]-3-[(1-méthyl-1H-1,2,4-triazol-3-yl)méthyl]-1-(2,4,5-trifluorobenzyl)-1,3,5-triazinane-2,4-dione [French] [ACD/IUPAC Name]
1,3,5-Triazine-2,4(1H,3H)-dione, 6-[(6-chloro-2-methyl-2H-indazol-5-yl)imino]dihydro-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-, (6E)- [ACD/Index Name]
2647530-73-0 [RN]
6-[(6-chloro-2-methyl-2H-indazol-5-yl)amino]-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione
6-[(6-chloro-2-methylindazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione
Ensitrelvir
S-217622

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.727
Molar Refractivity: 127.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.92
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.48
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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