ChemSpider 2D Image | N-(1-{7-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}-2-methylpropyl)-2-pyridinecarboxamide | C24H27ClN6O3

N-(1-{7-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}-2-methylpropyl)-2-pyridinecarboxamide

  • Molecular FormulaC24H27ClN6O3
  • Average mass482.963 Da
  • Monoisotopic mass482.183319 Da
  • ChemSpider ID23051523

More details:

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

2-Pyridinecarboxamide, N-[1-[7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]-2-methylpropyl]- [ACD/Index Name]
N-(1-{7-[(6-Chlor-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}-2-methylpropyl)-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-(1-{7-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}-2-methylpropyl)-2-pyridinecarboxamide [ACD/IUPAC Name]
N-(1-{7-[(6-Chloro-1,3-benzodioxol-5-yl)méthyl]-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl}-2-méthylpropyl)-2-pyridinecarboxamide [French] [ACD/IUPAC Name]

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: 1.695
Molar Refractivity: 128.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 8.11
ACD/KOC (pH 5.5): 101.79
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 34.69
ACD/KOC (pH 7.4): 435.30
Polar Surface Area: 94 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 334.2±7.0 cm3

Click to predict properties on the Chemicalize site


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