ChemSpider 2D Image | 3-{4-[(3R)-4-Isobutyryl-3-(2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)-1-piperazinyl]-6-methyl-2-pyrimidinyl}-1H-imidazol-3-ium | C27H36N7O3

3-{4-[(3R)-4-Isobutyryl-3-(2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)-1-piperazinyl]-6-methyl-2-pyrimidinyl}-1H-imidazol-3-ium

  • Molecular FormulaC27H36N7O3
  • Average mass506.619 Da
  • Monoisotopic mass506.287415 Da
  • ChemSpider ID17218371

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Imidazolium, 3-[4-[(3R)-3-[2-[[2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-4-(2-methyl-1-oxopropyl)-1-piperazinyl]-6-methyl-2-pyrimidinyl]- [ACD/Index Name]
3-{4-[(3R)-4-Isobutyryl-3-(2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)-1-piperazinyl]-6-methyl-2-pyrimidinyl}-1H-imidazol-3-ium [ACD/IUPAC Name]
3-{4-[(3R)-4-Isobutyryl-3-(2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)-1-piperazinyl]-6-methyl-2-pyrimidinyl}-1H-imidazol-3-ium [German] [ACD/IUPAC Name]
3-{4-[(3R)-4-Isobutyryl-3-(2-{[2-(4-méthoxyphényl)éthyl]amino}-2-oxoéthyl)-1-pipérazinyl]-6-méthyl-2-pyrimidinyl}-1H-imidazol-3-ium [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 107 Å2
Polarizability:
Surface Tension:
Molar Volume:

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