ChemSpider 2D Image | 4-[7-{[2-(4-Chlorophenyl)cyclopropyl](methyl)amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-N-ethyl-2,3-dihydroxycyclopentanecarboxamide | C25H32ClN7O3S

4-[7-{[2-(4-Chlorophenyl)cyclopropyl](methyl)amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-N-ethyl-2,3-dihydroxycyclopentanecarboxamide

  • Molecular FormulaC25H32ClN7O3S
  • Average mass546.085 Da
  • Monoisotopic mass545.197571 Da
  • ChemSpider ID8091061

More details:

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

4-[7-{[2-(4-Chlorophenyl)cyclopropyl](methyl)amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-N-ethyl-2,3-dihydroxycyclopentanecarboxamide [ACD/IUPAC Name]
4-[7-{[2-(4-Chlorophényl)cyclopropyl](méthyl)amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-N-éthyl-2,3-dihydroxycyclopentanecarboxamide [French] [ACD/IUPAC Name]
4-[7-{[2-(4-Chlorphenyl)cyclopropyl](methyl)amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-N-ethyl-2,3-dihydroxycyclopentancarboxamid [German] [ACD/IUPAC Name]
Cyclopentanecarboxamide, 4-[7-[[2-(4-chlorophenyl)cyclopropyl]methylamino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-N-ethyl-2,3-dihydroxy- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.750
Molar Refractivity: 142.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.64
ACD/KOC (pH 5.5): 632.47
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.91
ACD/KOC (pH 7.4): 635.49
Polar Surface Area: 155 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 62.8±7.0 dyne/cm
Molar Volume: 350.1±7.0 cm3

Click to predict properties on the Chemicalize site


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