ChemSpider 2D Image | N-{1-[7-(1-Cyclohexen-1-ylacetyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-2-methylpropyl}propanamide | C21H33N5O2

N-{1-[7-(1-Cyclohexen-1-ylacetyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-2-methylpropyl}propanamide

  • Molecular FormulaC21H33N5O2
  • Average mass387.519 Da
  • Monoisotopic mass387.263428 Da
  • ChemSpider ID22197513

More details:

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

N-(1-{7-[2-(1-Cyclohexén-1-yl)acétyl]-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl}-2-méthylpropyl)propanamide [French] [ACD/IUPAC Name]
N-{1-[7-(1-Cyclohexen-1-ylacetyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-2-methylpropyl}propanamid [German] [ACD/IUPAC Name]
N-{1-[7-(1-Cyclohexen-1-ylacetyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-2-methylpropyl}propanamide [ACD/IUPAC Name]
Propanamide, N-[1-[7-[2-(1-cyclohexen-1-yl)acetyl]-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]-2-methylpropyl]- [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: 1.621
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: 2.04
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.18
ACD/KOC (pH 5.5): 506.62
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.23
ACD/KOC (pH 7.4): 507.29
Polar Surface Area: 80 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 312.6±7.0 cm3

Click to predict properties on the Chemicalize site


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