ChemSpider 2D Image | N-[4-Chloro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-(2,2-dimethylpropanoyl)-4-piperidinecarboxamide | C24H32ClN5O2

N-[4-Chloro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-(2,2-dimethylpropanoyl)-4-piperidinecarboxamide

  • Molecular FormulaC24H32ClN5O2
  • Average mass457.996 Da
  • Monoisotopic mass457.224457 Da
  • ChemSpider ID30044428

More details:

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

4-Piperidinecarboxamide, N-[4-chloro-3-(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)phenyl]-1-(2,2-dimethyl-1-oxopropyl)- [ACD/Index Name]
N-[4-Chlor-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-(2,2-dimethylpropanoyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[4-Chloro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-(2,2-dimethylpropanoyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
N-[4-Chloro-3-(6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépin-3-yl)phényl]-1-(2,2-diméthylpropanoyl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 126.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 325.50
ACD/KOC (pH 5.5): 2187.76
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 325.73
ACD/KOC (pH 7.4): 2189.29
Polar Surface Area: 80 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 346.9±7.0 cm3

Click to predict properties on the Chemicalize site


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