ChemSpider 2D Image | 1-{2-[5-(1,3-Benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-isopropyl-1-[2-(4-morpholinyl)ethyl]urea | C30H39N5O5

1-{2-[5-(1,3-Benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-isopropyl-1-[2-(4-morpholinyl)ethyl]urea

  • Molecular FormulaC30H39N5O5
  • Average mass549.661 Da
  • Monoisotopic mass549.295105 Da
  • ChemSpider ID22602386

More details:

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

1-{2-[5-(1,3-Benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-isopropyl-1-[2-(4-morpholinyl)ethyl]harnstoff [German] [ACD/IUPAC Name]
1-{2-[5-(1,3-Benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-isopropyl-1-[2-(4-morpholinyl)ethyl]urea [ACD/IUPAC Name]
1-{2-[5-(1,3-Benzodioxol-5-yl)-3-(3,4-diméthylphényl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoéthyl}-3-isopropyl-1-[2-(4-morpholinyl)éthyl]urée [French] [ACD/IUPAC Name]
Urea, N-[2-[5-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl]-N'-(1-methylethyl)-N-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 151.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 11.22
ACD/KOC (pH 5.5): 101.83
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 101.58
ACD/KOC (pH 7.4): 921.76
Polar Surface Area: 96 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 424.5±7.0 cm3

Click to predict properties on the Chemicalize site


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