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

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

  • Molecular FormulaC21H31N5O
  • Average mass369.504 Da
  • Monoisotopic mass369.252869 Da
  • ChemSpider ID22149352

More details:

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

2-Methyl-N-{[7-(3-phenylpropyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}butanamid [German] [ACD/IUPAC Name]
2-Methyl-N-{[7-(3-phenylpropyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}butanamide [ACD/IUPAC Name]
2-Méthyl-N-{[7-(3-phénylpropyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]méthyl}butanamide [French] [ACD/IUPAC Name]
Butanamide, 2-methyl-N-[[6,7,8,9-tetrahydro-7-(3-phenylpropyl)-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]methyl]- [ACD/Index 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: 1.607
Molar Refractivity: 109.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.28
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 7.23
ACD/KOC (pH 7.4): 106.49
Polar Surface Area: 63 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 316.3±7.0 cm3

Click to predict properties on the Chemicalize site


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