ChemSpider 2D Image | Methyl 4-(4-{2-[(2Z)-2-{2-[(2,4-difluorobenzyl)oxy]-4-fluorobenzylidene}hydrazino]-2-oxoethoxy}-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C30H27F3N4O6S

Methyl 4-(4-{2-[(2Z)-2-{2-[(2,4-difluorobenzyl)oxy]-4-fluorobenzylidene}hydrazino]-2-oxoethoxy}-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC30H27F3N4O6S
  • Average mass628.619 Da
  • Monoisotopic mass628.160339 Da
  • ChemSpider ID101370798

  • Double-bond stereo - Double-bond stereo

More details:

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

4-(4-{2-[(2Z)-2-{2-[(2,4-Difluorobenzyl)oxy]-4-fluorobenzylidène}hydrazino]-2-oxoéthoxy}-3-méthoxyphényl)-6-méthyl-2-thioxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-[4-[2-[(2Z)-2-[[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]methylene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, methyl ester [ACD/Index Name]
Methyl 4-(4-{2-[(2Z)-2-{2-[(2,4-difluorobenzyl)oxy]-4-fluorobenzylidene}hydrazino]-2-oxoethoxy}-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-4-(4-{2-[(2Z)-2-{2-[(2,4-difluorbenzyl)oxy]-4-fluorbenzyliden}hydrazino]-2-oxoethoxy}-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC 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: 1.605
Molar Refractivity: 156.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1910.40
ACD/KOC (pH 5.5): 7766.50
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1909.81
ACD/KOC (pH 7.4): 7764.09
Polar Surface Area: 152 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 454.6±7.0 cm3

Click to predict properties on the Chemicalize site


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