ChemSpider 2D Image | N-{2-[7-(2,6-Difluorobenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}nicotinamide | C21H22F2N6O

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

  • Molecular FormulaC21H22F2N6O
  • Average mass412.436 Da
  • Monoisotopic mass412.182312 Da
  • ChemSpider ID22129186

More details:

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

3-Pyridinecarboxamide, N-[2-[7-[(2,6-difluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]- [ACD/Index Name]
N-{2-[7-(2,6-Difluorbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}nicotinamid [German] [ACD/IUPAC Name]
N-{2-[7-(2,6-Difluorobenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}nicotinamide [ACD/IUPAC Name]
N-{2-[7-(2,6-Difluorobenzyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]éthyl}nicotinamide [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: 1.654
Molar Refractivity: 109.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 4.82
ACD/KOC (pH 5.5): 82.50
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.91
ACD/KOC (pH 7.4): 203.93
Polar Surface Area: 76 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 299.9±7.0 cm3

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