ChemSpider 2D Image | N-Cyclohexyl-3-[1-(methoxyacetyl)-2-piperidinyl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide | C21H34N6O3

N-Cyclohexyl-3-[1-(methoxyacetyl)-2-piperidinyl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide

  • Molecular FormulaC21H34N6O3
  • Average mass418.533 Da
  • Monoisotopic mass418.269226 Da
  • ChemSpider ID65003759

More details:

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

7H-1,2,4-Triazolo[4,3-d][1,4]diazepine-7-carboxamide, N-cyclohexyl-5,6,8,9-tetrahydro-3-[1-(2-methoxyacetyl)-2-piperidinyl]- [ACD/Index Name]
N-Cyclohexyl-3-[1-(2-méthoxyacétyl)-2-pipéridinyl]-5,6,8,9-tétrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazépine-7-carboxamide [French] [ACD/IUPAC Name]
N-Cyclohexyl-3-[1-(methoxyacetyl)-2-piperidinyl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-carboxamid [German] [ACD/IUPAC Name]
N-Cyclohexyl-3-[1-(methoxyacetyl)-2-piperidinyl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide [ACD/IUPAC Name]
N-cyclohexyl-3-[1-(2-methoxyacetyl)-2-piperidyl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide

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: 1.669
Molar Refractivity: 113.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.71
ACD/KOC (pH 5.5): 88.99
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.72
ACD/KOC (pH 7.4): 89.21
Polar Surface Area: 93 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 303.1±7.0 cm3

Click to predict properties on the Chemicalize site


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