ChemSpider 2D Image | 2-(4-Chlorophenyl)-N-{[1-(3-fluorobenzyl)-4-piperidinyl]methyl}-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide | C24H25ClFN5O3

2-(4-Chlorophenyl)-N-{[1-(3-fluorobenzyl)-4-piperidinyl]methyl}-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

  • Molecular FormulaC24H25ClFN5O3
  • Average mass485.938 Da
  • Monoisotopic mass485.162994 Da
  • ChemSpider ID29077777

More details:

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

1,2,4-Triazine-6-carboxamide, 2-(4-chlorophenyl)-N-[[1-[(3-fluorophenyl)methyl]-4-piperidinyl]methyl]-2,3,4,5-tetrahydro-4-methyl-3,5-dioxo- [ACD/Index Name]
2-(4-Chlorophenyl)-N-{[1-(3-fluorobenzyl)-4-piperidinyl]methyl}-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide [ACD/IUPAC Name]
2-(4-Chlorophényl)-N-{[1-(3-fluorobenzyl)-4-pipéridinyl]méthyl}-4-méthyl-3,5-dioxo-2,3,4,5-tétrahydro-1,2,4-triazine-6-carboxamide [French] [ACD/IUPAC Name]
2-(4-Chlorphenyl)-N-{[1-(3-fluorbenzyl)-4-piperidinyl]methyl}-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-carboxamid [German] [ACD/IUPAC Name]
2-(4-chlorophenyl)-N-{[1-(3-fluorobenzyl)piperidin-4-yl]methyl}-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

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: 1.652
Molar Refractivity: 127.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 4.30
ACD/KOC (pH 7.4): 53.76
Polar Surface Area: 85 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 349.5±7.0 cm3

Click to predict properties on the Chemicalize site


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