ChemSpider 2D Image | 5-{[(1R,2S)-2-Aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide | C26H30N8O4

5-{[(1R,2S)-2-Aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide

  • Molecular FormulaC26H30N8O4
  • Average mass518.568 Da
  • Monoisotopic mass518.239014 Da
  • ChemSpider ID8499774
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

[1,2,4]Triazolo[1,5-c]pyrimidine-8-carboxamide, 5-[[(1R,2S)-2-aminocyclohexyl]amino]-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)- [ACD/Index Name]
5-{[(1R,2S)-2-Aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidin-8-carboxamid [German] [ACD/IUPAC Name]
5-{[(1R,2S)-2-Aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide [ACD/IUPAC Name]
5-{[(1R,2S)-2-Aminocyclohexyl]amino}-7-[(3,5-diméthoxyphényl)amino]-2-(3-hydroxyphényl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.733
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.63
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 64.0±7.0 dyne/cm
Molar Volume: 341.6±7.0 cm3

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