ChemSpider 2D Image | 3-(2-Amino-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]propanamide | C22H28N8O

3-(2-Amino-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]propanamide

  • Molecular FormulaC22H28N8O
  • Average mass420.511 Da
  • Monoisotopic mass420.238617 Da
  • ChemSpider ID22800767

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-propanamide, 2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5,7-dimethyl- [ACD/Index Name]
3-(2-Amino-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]propanamid [German] [ACD/IUPAC Name]
3-(2-Amino-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]propanamide [ACD/IUPAC Name]
3-(2-Amino-5,7-diméthyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(1H-benzimidazol-2-yl)-3-méthylbutyl]propanamide [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: 1.710
Molar Refractivity: 118.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 15.38
ACD/KOC (pH 5.5): 204.35
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.25
ACD/KOC (pH 7.4): 388.59
Polar Surface Area: 127 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 302.1±7.0 cm3

Click to predict properties on the Chemicalize site


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