ChemSpider 2D Image | 3-{2-[(4-Chlorobenzyl)amino]-5-methyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(2-naphthyl)propanamide | C26H23ClN6O2

3-{2-[(4-Chlorobenzyl)amino]-5-methyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(2-naphthyl)propanamide

  • Molecular FormulaC26H23ClN6O2
  • Average mass486.953 Da
  • Monoisotopic mass486.157104 Da
  • ChemSpider ID22439132

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-propanamide, 2-[[(4-chlorophenyl)methyl]amino]-4,7-dihydro-5-methyl-N-2-naphthalenyl-7-oxo- [ACD/Index Name]
3-{2-[(4-Chlorbenzyl)amino]-5-methyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(2-naphthyl)propanamid [German] [ACD/IUPAC Name]
3-{2-[(4-Chlorobenzyl)amino]-5-methyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(2-naphthyl)propanamide [ACD/IUPAC Name]
3-{2-[(4-Chlorobenzyl)amino]-5-méthyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(2-naphtyl)propanamide [French] [ACD/IUPAC Name]

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: 1.710
Molar Refractivity: 135.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3588.61
ACD/KOC (pH 5.5): 12195.57
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3588.86
ACD/KOC (pH 7.4): 12196.40
Polar Surface Area: 101 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 345.4±7.0 cm3

Click to predict properties on the Chemicalize site


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