ChemSpider 2D Image | N-{[7-(2-Chloro-4,5-dimethoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-3-fluorobenzamide | C23H25ClFN5O3

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

  • Molecular FormulaC23H25ClFN5O3
  • Average mass473.928 Da
  • Monoisotopic mass473.162994 Da
  • ChemSpider ID22138909

More details:

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

Benzamide, N-[[7-[(2-chloro-4,5-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]methyl]-3-fluoro- [ACD/Index Name]
N-{[7-(2-Chlor-4,5-dimethoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-3-fluorbenzamid [German] [ACD/IUPAC Name]
N-{[7-(2-Chloro-4,5-dimethoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-3-fluorobenzamide [ACD/IUPAC Name]
N-{[7-(2-Chloro-4,5-diméthoxybenzyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]méthyl}-3-fluorobenzamide [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: 1.633
Molar Refractivity: 123.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 9.51
ACD/KOC (pH 5.5): 113.04
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 41.93
ACD/KOC (pH 7.4): 498.30
Polar Surface Area: 82 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 344.9±7.0 cm3

Click to predict properties on the Chemicalize site


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