ChemSpider 2D Image | 3-Isopropyl-1-[2-(4-morpholinyl)ethyl]-1-{2-[5-(3-nitrophenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}urea | C25H32N6O5S

3-Isopropyl-1-[2-(4-morpholinyl)ethyl]-1-{2-[5-(3-nitrophenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}urea

  • Molecular FormulaC25H32N6O5S
  • Average mass528.624 Da
  • Monoisotopic mass528.215515 Da
  • ChemSpider ID22601817

More details:

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

3-Isopropyl-1-[2-(4-morpholinyl)ethyl]-1-{2-[5-(3-nitrophenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}harnstoff [German] [ACD/IUPAC Name]
3-Isopropyl-1-[2-(4-morpholinyl)ethyl]-1-{2-[5-(3-nitrophenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}urea [ACD/IUPAC Name]
3-Isopropyl-1-[2-(4-morpholinyl)éthyl]-1-{2-[5-(3-nitrophényl)-3-(2-thiényl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoéthyl}urée [French] [ACD/IUPAC Name]
Urea, N-[2-[4,5-dihydro-5-(3-nitrophenyl)-3-(2-thienyl)-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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 141.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 3.25
ACD/KOC (pH 5.5): 41.93
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 29.41
ACD/KOC (pH 7.4): 379.55
Polar Surface Area: 152 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 381.4±7.0 cm3

Click to predict properties on the Chemicalize site


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