ChemSpider 2D Image | 5,6-Diethyl-2-{5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl}-4(1H)-pyrimidinone | C22H32N4O4S

5,6-Diethyl-2-{5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl}-4(1H)-pyrimidinone

  • Molecular FormulaC22H32N4O4S
  • Average mass448.579 Da
  • Monoisotopic mass448.214417 Da
  • ChemSpider ID28666833

More details:

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

4(3H)-Pyrimidinone, 5,6-diethyl-2-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]- [ACD/Index Name]
5,6-Diethyl-2-{5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl}-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
5,6-Diethyl-2-{5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl}-4(1H)-pyrimidinone [ACD/IUPAC Name]
5,6-Diéthyl-2-{5-[(4-méthyl-1-pipérazinyl)sulfonyl]-2-propoxyphényl}-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
5,6-Diethyl-2-{5-[(4-Methylpiperazin-1-Yl)sulfonyl]-2-Propoxyphenyl}pyrimidin-4(3h)-One
NI0

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: 1.606
Molar Refractivity: 121.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 13.29
ACD/KOC (pH 5.5): 147.37
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 49.27
ACD/KOC (pH 7.4): 546.44
Polar Surface Area: 100 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 352.5±7.0 cm3

Click to predict properties on the Chemicalize site


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