ChemSpider 2D Image | (2,3-Dimethoxyphenyl){4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-1-piperazinyl}methanone | C23H22FN7O3

(2,3-Dimethoxyphenyl){4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-1-piperazinyl}methanone

  • Molecular FormulaC23H22FN7O3
  • Average mass463.464 Da
  • Monoisotopic mass463.176819 Da
  • ChemSpider ID22235621

More details:

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

(2,3-Dimethoxyphenyl){4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-1-piperazinyl}methanone [ACD/IUPAC Name]
(2,3-Diméthoxyphényl){4-[3-(3-fluorophényl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
(2,3-Dimethoxyphenyl){4-[3-(3-fluorphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
Methanone, (2,3-dimethoxyphenyl)[4-[3-(3-fluorophenyl)-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-yl]-1-piperazinyl]- [ACD/Index Name]
(2,3-dimethoxyphenyl)(4-(3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl)methanone
1-(2,3-dimethoxybenzoyl)-4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazine
923513-63-7 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 700.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.1±34.3 °C
Index of Refraction: 1.688
Molar Refractivity: 123.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 25.99
ACD/KOC (pH 5.5): 355.46
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.74
ACD/KOC (pH 7.4): 365.72
Polar Surface Area: 99 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 322.5±7.0 cm3

Click to predict properties on the Chemicalize site


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