ChemSpider 2D Image | N-{2-[4-Cyclopropyl-5-oxo-3-(3-pyridinyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]ethyl}-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide | C21H23N9O4

N-{2-[4-Cyclopropyl-5-oxo-3-(3-pyridinyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]ethyl}-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide

  • Molecular FormulaC21H23N9O4
  • Average mass465.465 Da
  • Monoisotopic mass465.187286 Da
  • ChemSpider ID58462520

More details:

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

7H-Purine-7-acetamide, N-[2-[4-cyclopropyl-4,5-dihydro-5-oxo-3-(3-pyridinyl)-1H-1,2,4-triazol-1-yl]ethyl]-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- [ACD/Index Name]
N-{2-[4-Cyclopropyl-5-oxo-3-(3-pyridinyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]ethyl}-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamid [German] [ACD/IUPAC Name]
N-{2-[4-Cyclopropyl-5-oxo-3-(3-pyridinyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]ethyl}-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide [ACD/IUPAC Name]
N-{2-[4-Cyclopropyl-5-oxo-3-(3-pyridinyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]éthyl}-2-(1,3-diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)acétamide [French] [ACD/IUPAC Name]
N-(2-(4-cyclopropyl-5-oxo-3-(pyridin-3-yl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)ethyl)-2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide

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: 1.787
Molar Refractivity: 121.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -2.27
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.91
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.33
Polar Surface Area: 136 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 75.5±7.0 dyne/cm
Molar Volume: 287.9±7.0 cm3

Click to predict properties on the Chemicalize site


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