ChemSpider 2D Image | N-{[7-(4-Ethylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-2,6-difluorobenzamide | C23H25F2N5O

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

  • Molecular FormulaC23H25F2N5O
  • Average mass425.474 Da
  • Monoisotopic mass425.202728 Da
  • ChemSpider ID22142170

More details:

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

Benzamide, N-[[7-[(4-ethylphenyl)methyl]-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]methyl]-2,6-difluoro- [ACD/Index Name]
N-{[7-(4-Ethylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-2,6-difluorbenzamid [German] [ACD/IUPAC Name]
N-{[7-(4-Ethylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-2,6-difluorobenzamide [ACD/IUPAC Name]
N-{[7-(4-Éthylbenzyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]méthyl}-2,6-difluorobenzamide [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: 1.628
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.46
ACD/KOC (pH 5.5): 18.37
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 27.34
ACD/KOC (pH 7.4): 344.85
Polar Surface Area: 63 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 326.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement