ChemSpider 2D Image | 1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-(4-{1-[(2-oxo-1,2-dihydro-4-pyridinyl)methyl]-4-piperidinyl}-1-naphthyl)urea | C36H40N6O2

1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-(4-{1-[(2-oxo-1,2-dihydro-4-pyridinyl)methyl]-4-piperidinyl}-1-naphthyl)urea

  • Molecular FormulaC36H40N6O2
  • Average mass588.742 Da
  • Monoisotopic mass588.321289 Da
  • ChemSpider ID9817529

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-{1-[(2-oxo-1,2-dihydro-4-pyridinyl)methyl]-4-piperidinyl}-1-naphthyl)harnstoff [German] [ACD/IUPAC Name]
1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-(4-{1-[(2-oxo-1,2-dihydro-4-pyridinyl)methyl]-4-piperidinyl}-1-naphthyl)urea [ACD/IUPAC Name]
1-[1-(4-Méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]-3-(4-{1-[(2-oxo-1,2-dihydro-4-pyridinyl)méthyl]-4-pipéridinyl}-1-naphtyl)urée [French] [ACD/IUPAC Name]
Urea, N-[4-[1-[(1,2-dihydro-2-oxo-4-pyridinyl)methyl]-4-piperidinyl]-1-naphthalenyl]-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: 1.2±0.1 g/cm3
Boiling Point: 727.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.6±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 174.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 8.59
ACD/KOC (pH 5.5): 24.35
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 250.55
ACD/KOC (pH 7.4): 710.61
Polar Surface Area: 91 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 476.8±7.0 cm3

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