ChemSpider 2D Image | 1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-{3-[(5-Oxo-6,7,8,9-Tetrahydro-5h-Benzo[7]annulen-2-Yl)amino]phenyl}urea | C32H35N5O2

1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-{3-[(5-Oxo-6,7,8,9-Tetrahydro-5h-Benzo[7]annulen-2-Yl)amino]phenyl}urea

  • Molecular FormulaC32H35N5O2
  • Average mass521.653 Da
  • Monoisotopic mass521.279053 Da
  • ChemSpider ID35033313

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-{3-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}harnstoff [German] [ACD/IUPAC Name]
1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}urea [ACD/IUPAC Name]
1-[1-(4-Méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tétrahydro-5H-benzo[7]annulén-2-yl)amino]phényl}urée [French] [ACD/IUPAC Name]
1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-{3-[(5-Oxo-6,7,8,9-Tetrahydro-5h-Benzo[7]annulen-2-Yl)amino]phenyl}urea
Urea, N-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[3-[(6,7,8,9-tetrahydro-5-oxo-5H-benzocyclohepten-2-yl)amino]phenyl]- [ACD/Index Name]
06F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 627.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.4±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 155.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.75
ACD/LogD (pH 5.5): 6.81
ACD/BCF (pH 5.5): 88770.74
ACD/KOC (pH 5.5): 121196.58
ACD/LogD (pH 7.4): 6.81
ACD/BCF (pH 7.4): 88812.47
ACD/KOC (pH 7.4): 121253.55
Polar Surface Area: 88 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 430.5±7.0 cm3

Click to predict properties on the Chemicalize site


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