ChemSpider 2D Image | 4-(3-{1-[(1-Methyl-1H-imidazol-5-yl)methyl]-1H-pyrazol-3-yl}phenyl)-2-(methylsulfanyl)pyrimidine | C19H18N6S

4-(3-{1-[(1-Methyl-1H-imidazol-5-yl)methyl]-1H-pyrazol-3-yl}phenyl)-2-(methylsulfanyl)pyrimidine

  • Molecular FormulaC19H18N6S
  • Average mass362.451 Da
  • Monoisotopic mass362.131378 Da
  • ChemSpider ID22352345

More details:

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

4-(3-{1-[(1-Methyl-1H-imidazol-5-yl)methyl]-1H-pyrazol-3-yl}phenyl)-2-(methylsulfanyl)pyrimidin [German] [ACD/IUPAC Name]
4-(3-{1-[(1-Methyl-1H-imidazol-5-yl)methyl]-1H-pyrazol-3-yl}phenyl)-2-(methylsulfanyl)pyrimidine [ACD/IUPAC Name]
4-(3-{1-[(1-Méthyl-1H-imidazol-5-yl)méthyl]-1H-pyrazol-3-yl}phényl)-2-(méthylsulfanyl)pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 4-[3-[1-[(1-methyl-1H-imidazol-5-yl)methyl]-1H-pyrazol-3-yl]phenyl]-2-(methylthio)- [ACD/Index Name]
4-(3-{1-[(1-methyl-1H-imidazol-5-yl)methyl]-1H-pyrazol-3-yl}phenyl)-2-(methylthio)pyrimidine
4-(3-{1-[(3-METHYLIMIDAZOL-4-YL)METHYL]PYRAZOL-3-YL}PHENYL)-2-(METHYLSULFANYL)PYRIMIDINE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 654.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 349.6±30.1 °C
Index of Refraction: 1.702
Molar Refractivity: 107.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 4.49
ACD/KOC (pH 5.5): 50.02
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 48.02
ACD/KOC (pH 7.4): 534.89
Polar Surface Area: 87 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 277.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement