ChemSpider 2D Image | 6-Ethyl-5-iodo-2-{5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl}-4(1H)-pyrimidinone | C20H27IN4O4S

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

  • Molecular FormulaC20H27IN4O4S
  • Average mass546.422 Da
  • Monoisotopic mass546.079773 Da
  • ChemSpider ID28478769

More details:






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

4(3H)-Pyrimidinone, 6-ethyl-5-iodo-2-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]- [ACD/Index Name]
6-Ethyl-5-iod-2-{5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl}-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
6-Ethyl-5-iodo-2-{5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl}-4(1H)-pyrimidinone [ACD/IUPAC Name]
6-Éthyl-5-iodo-2-{5-[(4-méthyl-1-pipérazinyl)sulfonyl]-2-propoxyphényl}-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
6-Ethyl-5-Iodo-2-{5-[(4-Methylpiperazin-1-Yl)sulfonyl]-2-Propoxyphenyl}pyrimidin-4(3h)-One
5IO

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 125.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 12.28
ACD/KOC (pH 5.5): 137.45
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 10.02
ACD/KOC (pH 7.4): 112.22
Polar Surface Area: 100 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 338.9±7.0 cm3

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