ChemSpider 2D Image | Ethyl (5Z)-4-{3-[ethyl(methyl)amino]-4-methoxyphenyl}-5-(4-hydroxy-3-isopropyl-6-oxo-2,4-cyclohexadien-1-ylidene)-2,5-dihydro-1H-pyrazol-3-yl hydrogen phosphate | C24H32N3O7P

Ethyl (5Z)-4-{3-[ethyl(methyl)amino]-4-methoxyphenyl}-5-(4-hydroxy-3-isopropyl-6-oxo-2,4-cyclohexadien-1-ylidene)-2,5-dihydro-1H-pyrazol-3-yl hydrogen phosphate

  • Molecular FormulaC24H32N3O7P
  • Average mass505.500 Da
  • Monoisotopic mass505.197784 Da
  • ChemSpider ID17276135

  • Double-bond stereo - Double-bond stereo

More details:

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

Ethyl (5Z)-4-{3-[ethyl(methyl)amino]-4-methoxyphenyl}-5-(4-hydroxy-3-isopropyl-6-oxo-2,4-cyclohexadien-1-ylidene)-2,5-dihydro-1H-pyrazol-3-yl hydrogen phosphate [ACD/IUPAC Name]
Ethyl-(5Z)-4-{3-[ethyl(methyl)amino]-4-methoxyphenyl}-5-(4-hydroxy-3-isopropyl-6-oxo-2,4-cyclohexadien-1-yliden)-2,5-dihydro-1H-pyrazol-3-ylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate d'éthyle et de (5Z)-4-{3-[éthyl(méthyl)amino]-4-méthoxyphényl}-5-(4-hydroxy-3-isopropyl-6-oxo-2,4-cyclohexadién-1-ylidène)-2,5-dihydro-1H-pyrazol-3-yle [French] [ACD/IUPAC Name]
Phosphoric acid, ethyl (5Z)-4-[3-(ethylmethylamino)-4-methoxyphenyl]-2,5-dihydro-5-[4-hydroxy-3-(1-methylethyl)-6-oxo-2,4-cyclohexadien-1-ylidene]-1H-pyrazol-3-yl ester [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: 537.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 279.1±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 130.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.47
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 374.9±5.0 cm3

Click to predict properties on the Chemicalize site


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