ChemSpider 2D Image | 3,4-Dihydroxy-N-[3-(4-{[2-(4-hydroxybenzyl)-5-methoxy-1-methyl-6-oxo-1,6-dihydro-4-pyrimidinyl]carbonyl}-1-piperazinyl)propyl]benzamide | C28H33N5O7

3,4-Dihydroxy-N-[3-(4-{[2-(4-hydroxybenzyl)-5-methoxy-1-methyl-6-oxo-1,6-dihydro-4-pyrimidinyl]carbonyl}-1-piperazinyl)propyl]benzamide

  • Molecular FormulaC28H33N5O7
  • Average mass551.591 Da
  • Monoisotopic mass551.237976 Da
  • ChemSpider ID58963321

More details:

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

3,4-Dihydroxy-N-[3-(4-{[2-(4-hydroxybenzyl)-5-methoxy-1-methyl-6-oxo-1,6-dihydro-4-pyrimidinyl]carbonyl}-1-piperazinyl)propyl]benzamid [German] [ACD/IUPAC Name]
3,4-Dihydroxy-N-[3-(4-{[2-(4-hydroxybenzyl)-5-methoxy-1-methyl-6-oxo-1,6-dihydro-4-pyrimidinyl]carbonyl}-1-piperazinyl)propyl]benzamide [ACD/IUPAC Name]
3,4-Dihydroxy-N-[3-(4-{[2-(4-hydroxybenzyl)-5-méthoxy-1-méthyl-6-oxo-1,6-dihydro-4-pyrimidinyl]carbonyl}-1-pipérazinyl)propyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, N-[3-[4-[[1,6-dihydro-2-[(4-hydroxyphenyl)methyl]-5-methoxy-1-methyl-6-oxo-4-pyrimidinyl]carbonyl]-1-piperazinyl]propyl]-3,4-dihydroxy- [ACD/Index Name]

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: 1.650
Molar Refractivity: 145.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.62
Polar Surface Area: 155 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 398.7±7.0 cm3

Click to predict properties on the Chemicalize site


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