ChemSpider 2D Image | 5-Bromo-2-{2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-6-octyl-4(1H)-pyrimidinone | C25H37BrN4O4S

5-Bromo-2-{2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-6-octyl-4(1H)-pyrimidinone

  • Molecular FormulaC25H37BrN4O4S
  • Average mass569.555 Da
  • Monoisotopic mass568.171875 Da
  • ChemSpider ID30822532

More details:

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

4(3H)-Pyrimidinone, 5-bromo-2-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-6-octyl- [ACD/Index Name]
5-Brom-2-{2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-6-octyl-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
5-Bromo-2-{2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-6-octyl-4(1H)-pyrimidinone [ACD/IUPAC Name]
5-Bromo-2-{2-éthoxy-5-[(4-méthyl-1-pipérazinyl)sulfonyl]phényl}-6-octyl-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
5-Bromo-2-{2-Ethoxy-5-[(4-Methylpiperazin-1-Yl)sulfonyl]phenyl}-6-Octylpyrimidin-4(3h)-One
5BB

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: 1.608
Molar Refractivity: 143.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 823.85
ACD/KOC (pH 5.5): 2768.95
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 497.20
ACD/KOC (pH 7.4): 1671.08
Polar Surface Area: 100 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 414.1±7.0 cm3

Click to predict properties on the Chemicalize site


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