ChemSpider 2D Image | Ethyl (2E)-3-{1-(4-chlorobenzyl)-2-[(3-fluoro-4-isopropoxyphenyl)amino]-6-oxo-1,6-dihydro-5-pyrimidinyl}acrylate | C25H25ClFN3O4

Ethyl (2E)-3-{1-(4-chlorobenzyl)-2-[(3-fluoro-4-isopropoxyphenyl)amino]-6-oxo-1,6-dihydro-5-pyrimidinyl}acrylate

  • Molecular FormulaC25H25ClFN3O4
  • Average mass485.935 Da
  • Monoisotopic mass485.151764 Da
  • ChemSpider ID76735097

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{1-(4-Chlorobenzyl)-2-[(3-fluoro-4-isopropoxyphényl)amino]-6-oxo-1,6-dihydro-5-pyrimidinyl}acrylate d'éthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[1-[(4-chlorophenyl)methyl]-2-[[3-fluoro-4-(1-methylethoxy)phenyl]amino]-1,6-dihydro-6-oxo-5-pyrimidinyl]-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-3-{1-(4-chlorobenzyl)-2-[(3-fluoro-4-isopropoxyphenyl)amino]-6-oxo-1,6-dihydro-5-pyrimidinyl}acrylate [ACD/IUPAC Name]
Ethyl-(2E)-3-{1-(4-chlorbenzyl)-2-[(3-fluor-4-isopropoxyphenyl)amino]-6-oxo-1,6-dihydro-5-pyrimidinyl}acrylat [German] [ACD/IUPAC 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: 593.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.6±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 128.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1341.65
ACD/KOC (pH 5.5): 6030.57
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1341.69
ACD/KOC (pH 7.4): 6030.77
Polar Surface Area: 80 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 386.4±7.0 cm3

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