ChemSpider 2D Image | 1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-{4-[(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl)sulfanyl]phenyl}urea | C27H27N7O2S

1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-{4-[(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl)sulfanyl]phenyl}urea

  • Molecular FormulaC27H27N7O2S
  • Average mass513.614 Da
  • Monoisotopic mass513.194702 Da
  • ChemSpider ID24678870

More details:

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

1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-{4-[(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl)sulfanyl]phenyl}harnstoff [German] [ACD/IUPAC Name]
1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-{4-[(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl)sulfanyl]phenyl}urea [ACD/IUPAC Name]
1-[1-(4-Méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]-3-{4-[(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl)sulfanyl]phényl}urée [French] [ACD/IUPAC Name]
Urea, N-[4-[(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)thio]phenyl]-N'-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 555.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.9±30.1 °C
Index of Refraction: 1.708
Molar Refractivity: 145.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5707.34
ACD/KOC (pH 5.5): 16957.88
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5743.55
ACD/KOC (pH 7.4): 17065.46
Polar Surface Area: 138 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 374.1±7.0 cm3

Click to predict properties on the Chemicalize site


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