ChemSpider 2D Image | Ethyl 4-(4-{2-[(2Z)-2-{4-fluoro-2-[(hexyloxy)methyl]benzylidene}hydrazino]-2-oxoethoxy}-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C31H39FN4O7

Ethyl 4-(4-{2-[(2Z)-2-{4-fluoro-2-[(hexyloxy)methyl]benzylidene}hydrazino]-2-oxoethoxy}-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC31H39FN4O7
  • Average mass598.662 Da
  • Monoisotopic mass598.280273 Da
  • ChemSpider ID101363810

  • Double-bond stereo - Double-bond stereo

More details:

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

4-(4-{2-[(2Z)-2-{4-Fluoro-2-[(hexyloxy)méthyl]benzylidène}hydrazino]-2-oxoéthoxy}-3-méthoxyphényl)-6-méthyl-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-[4-[2-[(2Z)-2-[[4-fluoro-2-[(hexyloxy)methyl]phenyl]methylene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-(4-{2-[(2Z)-2-{4-fluoro-2-[(hexyloxy)methyl]benzylidene}hydrazino]-2-oxoethoxy}-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(4-{2-[(2Z)-2-{4-fluor-2-[(hexyloxy)methyl]benzyliden}hydrazino]-2-oxoethoxy}-3-methoxyphenyl)-6-methyl-2-oxo-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: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.567
Molar Refractivity: 157.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2648.59
ACD/KOC (pH 5.5): 9812.71
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2647.35
ACD/KOC (pH 7.4): 9808.12
Polar Surface Area: 137 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 481.2±7.0 cm3

Click to predict properties on the Chemicalize site


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