ChemSpider 2D Image | Methyl 4-(3-methoxy-4-{2-oxo-2-[(2Z)-2-{4-[4-(trifluoromethyl)phenoxy]benzylidene}hydrazino]ethoxy}phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C30H27F3N4O6S

Methyl 4-(3-methoxy-4-{2-oxo-2-[(2Z)-2-{4-[4-(trifluoromethyl)phenoxy]benzylidene}hydrazino]ethoxy}phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC30H27F3N4O6S
  • Average mass628.619 Da
  • Monoisotopic mass628.160339 Da
  • ChemSpider ID101369627

  • Double-bond stereo - Double-bond stereo

More details:

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

4-(3-Méthoxy-4-{2-oxo-2-[(2Z)-2-{4-[4-(trifluorométhyl)phénoxy]benzylidène}hydrazino]éthoxy}phényl)-6-méthyl-2-thioxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-[3-methoxy-4-[2-oxo-2-[(2Z)-2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methylene]hydrazinyl]ethoxy]phenyl]-6-methyl-2-thioxo-, methyl ester [ACD/Index Name]
Methyl 4-(3-methoxy-4-{2-oxo-2-[(2Z)-2-{4-[4-(trifluoromethyl)phenoxy]benzylidene}hydrazino]ethoxy}phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-4-(3-methoxy-4-{2-oxo-2-[(2Z)-2-{4-[4-(trifluormethyl)phenoxy]benzyliden}hydrazino]ethoxy}phenyl)-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: 1.598
Molar Refractivity: 157.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2494.39
ACD/KOC (pH 5.5): 9400.31
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2493.75
ACD/KOC (pH 7.4): 9397.91
Polar Surface Area: 152 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 459.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement