ChemSpider 2D Image | 4-({2-[1-(4-Fluorobenzyl)-1H-1,2,3-triazol-4-yl]phenyl}amino)-1-hydroxypyrido[2,3-d]pyrimidin-2(1H)-one | C22H16FN7O2

4-({2-[1-(4-Fluorobenzyl)-1H-1,2,3-triazol-4-yl]phenyl}amino)-1-hydroxypyrido[2,3-d]pyrimidin-2(1H)-one

  • Molecular FormulaC22H16FN7O2
  • Average mass429.406 Da
  • Monoisotopic mass429.134949 Da
  • ChemSpider ID90631424

More details:

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

4-({2-[1-(4-Fluorbenzyl)-1H-1,2,3-triazol-4-yl]phenyl}amino)-1-hydroxypyrido[2,3-d]pyrimidin-2(1H)-on [German] [ACD/IUPAC Name]
4-({2-[1-(4-Fluorobenzyl)-1H-1,2,3-triazol-4-yl]phenyl}amino)-1-hydroxypyrido[2,3-d]pyrimidin-2(1H)-one [ACD/IUPAC Name]
4-({2-[1-(4-Fluorobenzyl)-1H-1,2,3-triazol-4-yl]phényl}amino)-1-hydroxypyrido[2,3-d]pyrimidin-2(1H)-one [French] [ACD/IUPAC Name]
Pyrido[2,3-d]pyrimidin-2(1H)-one, 4-[[2-[1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl]phenyl]amino]-1-hydroxy- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 717.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 388.0±35.7 °C
Index of Refraction: 1.744
Molar Refractivity: 115.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.43
ACD/KOC (pH 5.5): 159.82
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 5.68
ACD/KOC (pH 7.4): 107.72
Polar Surface Area: 109 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 286.5±7.0 cm3

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