ChemSpider 2D Image | N-{[7-(4-Fluoro-3-methoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-2-methoxybenzamide | C23H26FN5O3

N-{[7-(4-Fluoro-3-methoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-2-methoxybenzamide

  • Molecular FormulaC23H26FN5O3
  • Average mass439.483 Da
  • Monoisotopic mass439.201965 Da
  • ChemSpider ID22125270

More details:

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

Benzamide, N-[[7-[(4-fluoro-3-methoxyphenyl)methyl]-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]methyl]-2-methoxy- [ACD/Index Name]
N-{[7-(4-Fluor-3-methoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-2-methoxybenzamid [German] [ACD/IUPAC Name]
N-{[7-(4-Fluoro-3-methoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-2-methoxybenzamide [ACD/IUPAC Name]
N-{[7-(4-Fluoro-3-méthoxybenzyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]méthyl}-2-méthoxybenzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 118.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 2.95
ACD/KOC (pH 5.5): 43.69
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 18.78
ACD/KOC (pH 7.4): 278.30
Polar Surface Area: 82 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 335.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement