ChemSpider 2D Image | 1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-(4-{2-[(~2~H_8_)-4-morpholinyl]ethoxy}-1-naphthyl)urea | C31H29D8N5O3

1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-(4-{2-[(2H8)-4-morpholinyl]ethoxy}-1-naphthyl)urea

  • Molecular FormulaC31H29D8N5O3
  • Average mass535.706 Da
  • Monoisotopic mass535.339844 Da
  • ChemSpider ID9401474

  • Non-standard isotope - Non-standard isotope

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-[(2H8)-4-morpholinyl]ethoxy}-1-naphthyl)harnstoff [German] [ACD/IUPAC Name]
1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-(4-{2-[(2H8)-4-morpholinyl]ethoxy}-1-naphthyl)urea [ACD/IUPAC Name]
1-[1-(4-Méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]-3-(4-{2-[(2H8)-4-morpholinyl]éthoxy}-1-naphtyl)urée [French] [ACD/IUPAC Name]
Urea, N-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[4-[2-(4-morpholinyl-d8)ethoxy]-1-naphthalenyl]- [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: 631.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.8±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 153.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 1640.50
ACD/KOC (pH 5.5): 3679.34
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 13991.00
ACD/KOC (pH 7.4): 31379.36
Polar Surface Area: 81 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 436.2±7.0 cm3

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