ChemSpider 2D Image | (5-{[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]methyl}-1-phenyl-1H-1,2,3-triazol-4-yl)[4-(4-methoxyphenyl)-1-piperazinyl]methanone | C27H29N7O2S

(5-{[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]methyl}-1-phenyl-1H-1,2,3-triazol-4-yl)[4-(4-methoxyphenyl)-1-piperazinyl]methanone

  • Molecular FormulaC27H29N7O2S
  • Average mass515.630 Da
  • Monoisotopic mass515.210327 Da
  • ChemSpider ID26305892

More details:

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

(5-{[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]methyl}-1-phenyl-1H-1,2,3-triazol-4-yl)[4-(4-methoxyphenyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
(5-{[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]methyl}-1-phenyl-1H-1,2,3-triazol-4-yl)[4-(4-methoxyphenyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
(5-{[(4,6-Diméthyl-2-pyrimidinyl)sulfanyl]méthyl}-1-phényl-1H-1,2,3-triazol-4-yl)[4-(4-méthoxyphényl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1-phenyl-1H-1,2,3-triazol-4-yl][4-(4-methoxyphenyl)-1-piperazinyl]- [ACD/Index Name]
(5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1-phenyl-1H-1,2,3-triazol-4-yl)(4-(4-methoxyphenyl)piperazin-1-yl)methanone
1170633-57-4 [RN]
2-[({4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-phenyl-1H-1,2,3-triazol-5-yl}methyl)sulfanyl]-4,6-dimethylpyrimidine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 776.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 423.2±35.7 °C
Index of Refraction: 1.680
Molar Refractivity: 147.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.87
ACD/KOC (pH 5.5): 1050.27
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 117.22
ACD/KOC (pH 7.4): 1053.39
Polar Surface Area: 115 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 390.9±7.0 cm3

Click to predict properties on the Chemicalize site


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