ChemSpider 2D Image | 2-{2-[(4-Chlorophenyl)amino]-2-oxoethyl}-N-(4-fluorobenzyl)-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide | C24H21ClFN5O3

2-{2-[(4-Chlorophenyl)amino]-2-oxoethyl}-N-(4-fluorobenzyl)-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide

  • Molecular FormulaC24H21ClFN5O3
  • Average mass481.907 Da
  • Monoisotopic mass481.131683 Da
  • ChemSpider ID28393670

More details:

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

2-{2-[(4-Chlorophenyl)amino]-2-oxoethyl}-N-(4-fluorobenzyl)-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide [ACD/IUPAC Name]
2-{2-[(4-Chlorophényl)amino]-2-oxoéthyl}-N-(4-fluorobenzyl)-6,8-diméthyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxamide [French] [ACD/IUPAC Name]
2-{2-[(4-Chlorphenyl)amino]-2-oxoethyl}-N-(4-fluorbenzyl)-6,8-dimethyl-1-oxo-1,2-dihydropyrrolo[1,2-d][1,2,4]triazin-7-carboxamid [German] [ACD/IUPAC Name]
Pyrrolo[1,2-d][1,2,4]triazine-2(1H)-acetamide, N-(4-chlorophenyl)-7-[[[(4-fluorophenyl)methyl]amino]carbonyl]-6,8-dimethyl-1-oxo- [ACD/Index Name]
N-[5-({[(3-methoxypropyl)amino]carbonyl}amino)-1,3-benzothiazol-2-yl]acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 126.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 160.84
ACD/KOC (pH 5.5): 1321.11
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 160.84
ACD/KOC (pH 7.4): 1321.11
Polar Surface Area: 96 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 342.5±7.0 cm3

Click to predict properties on the Chemicalize site


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