ChemSpider 2D Image | 5-Bromo-6-isopropyl-2-{5-[(4-methyl-1-piperazinyl)acetyl]-2-propoxyphenyl}-4(1H)-pyrimidinone | C23H31BrN4O3

5-Bromo-6-isopropyl-2-{5-[(4-methyl-1-piperazinyl)acetyl]-2-propoxyphenyl}-4(1H)-pyrimidinone

  • Molecular FormulaC23H31BrN4O3
  • Average mass491.421 Da
  • Monoisotopic mass490.157959 Da
  • ChemSpider ID30822542

More details:

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

4(3H)-Pyrimidinone, 5-bromo-6-(1-methylethyl)-2-[5-[2-(4-methyl-1-piperazinyl)acetyl]-2-propoxyphenyl]- [ACD/Index Name]
5-Brom-6-isopropyl-2-{5-[(4-methyl-1-piperazinyl)acetyl]-2-propoxyphenyl}-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
5-Bromo-2-{5-[(4-Methylpiperazin-1-Yl)acetyl]-2-Propoxyphenyl}-6-(Propan-2-Yl)pyrimidin-4(3h)-One
5-Bromo-6-isopropyl-2-{5-[(4-methyl-1-piperazinyl)acetyl]-2-propoxyphenyl}-4(1H)-pyrimidinone [ACD/IUPAC Name]
5-Bromo-6-isopropyl-2-{5-[2-(4-méthyl-1-pipérazinyl)acétyl]-2-propoxyphényl}-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
5BA

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: 1.614
Molar Refractivity: 124.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.19
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 5.65
ACD/KOC (pH 7.4): 61.89
Polar Surface Area: 74 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 358.2±7.0 cm3

Click to predict properties on the Chemicalize site


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