ChemSpider 2D Image | 4-(4-{[3-(beta-D-Galactopyranosyloxy)-5-isopropyl-1H-pyrazol-4-yl]methyl}phenyl)-N-[2-methyl-1-(4-methyl-1-piperazinyl)-1-oxo-2-propanyl]butanamide | C32H49N5O8

4-(4-{[3-(β-D-Galactopyranosyloxy)-5-isopropyl-1H-pyrazol-4-yl]methyl}phenyl)-N-[2-methyl-1-(4-methyl-1-piperazinyl)-1-oxo-2-propanyl]butanamide

  • Molecular FormulaC32H49N5O8
  • Average mass631.760 Da
  • Monoisotopic mass631.358093 Da
  • ChemSpider ID8184789

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-(4-{[3-(β-D-Galactopyranosyloxy)-5-isopropyl-1H-pyrazol-4-yl]methyl}phenyl)-N-[2-methyl-1-(4-methyl-1-piperazinyl)-1-oxo-2-propanyl]butanamid [German] [ACD/IUPAC Name]
4-(4-{[3-(β-D-Galactopyranosyloxy)-5-isopropyl-1H-pyrazol-4-yl]methyl}phenyl)-N-[2-methyl-1-(4-methyl-1-piperazinyl)-1-oxo-2-propanyl]butanamide [ACD/IUPAC Name]
4-(4-{[3-(β-D-Galactopyranosyloxy)-5-isopropyl-1H-pyrazol-4-yl]méthyl}phényl)-N-[2-méthyl-1-(4-méthyl-1-pipérazinyl)-1-oxo-2-propanyl]butanamide [French] [ACD/IUPAC Name]
Benzenebutanamide, N-[1,1-dimethyl-2-(4-methyl-1-piperazinyl)-2-oxoethyl]-4-[[3-(β-D-galactopyranosyloxy)-5-(1-methylethyl)-1H-pyrazol-4-yl]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 882.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.4±3.0 kJ/mol
Flash Point: 487.4±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 167.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.46
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.30
ACD/KOC (pH 7.4): 59.07
Polar Surface Area: 181 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 493.6±3.0 cm3

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