ChemSpider 2D Image | 2-Hydroxy-3-(4-isopropylphenyl)-5-{2-[4-(isopropylsulfonyl)-1-piperazinyl]-2-oxoethyl}-3,5-dihydro-4H-imidazol-4-one | C21H30N4O5S

2-Hydroxy-3-(4-isopropylphenyl)-5-{2-[4-(isopropylsulfonyl)-1-piperazinyl]-2-oxoethyl}-3,5-dihydro-4H-imidazol-4-one

  • Molecular FormulaC21H30N4O5S
  • Average mass450.552 Da
  • Monoisotopic mass450.193695 Da
  • ChemSpider ID35002894

More details:

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

2-Hydroxy-3-(4-isopropylphenyl)-5-{2-[4-(isopropylsulfonyl)-1-piperazinyl]-2-oxoethyl}-3,5-dihydro-4H-imidazol-4-on [German] [ACD/IUPAC Name]
2-Hydroxy-3-(4-isopropylphenyl)-5-{2-[4-(isopropylsulfonyl)-1-piperazinyl]-2-oxoethyl}-3,5-dihydro-4H-imidazol-4-one [ACD/IUPAC Name]
2-Hydroxy-3-(4-isopropylphényl)-5-{2-[4-(isopropylsulfonyl)-1-pipérazinyl]-2-oxoéthyl}-3,5-dihydro-4H-imidazol-4-one [French] [ACD/IUPAC Name]
4H-Imidazol-4-one, 3,5-dihydro-2-hydroxy-3-[4-(1-methylethyl)phenyl]-5-[2-[4-[(1-methylethyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]- [ACD/Index Name]
2-hydroxy-5-{2-oxo-2-[4-(propan-2-ylsulfonyl)piperazin-1-yl]ethyl}-3-[4-(propan-2-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
3-(4-isopropylphenyl)-5-{2-[4-(isopropylsulfonyl)piperazin-1-yl]-2-oxoethyl}imidazolidine-2,4-dione
3-(4-isopropylphenyl)-5-{2-[4-(isopropylsulfonyl)piperazino]-2-oxoethyl}-1H-imidazole-2,4(3H,5H)-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 653.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.8±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 118.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 3.92
ACD/KOC (pH 5.5): 88.93
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 38.53
Polar Surface Area: 119 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 330.6±7.0 cm3

Click to predict properties on the Chemicalize site


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