ChemSpider 2D Image | N-{[7-(2,5-Dimethylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-2-methylbutanamide | C21H31N5O

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

  • Molecular FormulaC21H31N5O
  • Average mass369.504 Da
  • Monoisotopic mass369.252869 Da
  • ChemSpider ID22169857

More details:

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

Butanamide, N-[[7-[(2,5-dimethylphenyl)methyl]-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]methyl]-2-methyl- [ACD/Index Name]
N-{[7-(2,5-Dimethylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-2-methylbutanamid [German] [ACD/IUPAC Name]
N-{[7-(2,5-Dimethylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-2-methylbutanamide [ACD/IUPAC Name]
N-{[7-(2,5-Diméthylbenzyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]méthyl}-2-méthylbutanamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.609
Molar Refractivity: 108.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.68
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 19.73
ACD/KOC (pH 7.4): 264.58
Polar Surface Area: 63 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 314.5±7.0 cm3

Click to predict properties on the Chemicalize site


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