ChemSpider 2D Image | N-{1-[7-(3-Methylbutyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}-3-phenylpropanamide | C22H33N5O

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

  • Molecular FormulaC22H33N5O
  • Average mass383.530 Da
  • Monoisotopic mass383.268524 Da
  • ChemSpider ID22133411

More details:

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

Benzenepropanamide, N-[1-[6,7,8,9-tetrahydro-7-(3-methylbutyl)-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]- [ACD/Index Name]
N-{1-[7-(3-Methylbutyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}-3-phenylpropanamid [German] [ACD/IUPAC Name]
N-{1-[7-(3-Methylbutyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}-3-phenylpropanamide [ACD/IUPAC Name]
N-{1-[7-(3-Méthylbutyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]éthyl}-3-phénylpropanamide [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: 1.602
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.21
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 14.99
ACD/KOC (pH 7.4): 162.40
Polar Surface Area: 63 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 331.4±7.0 cm3

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