ChemSpider 2D Image | Methyl 4-[4-(2-{(2Z)-2-[2-(4-benzyl-1-piperazinyl)benzylidene]hydrazino}-2-oxoethoxy)-3-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C34H38N6O5S

Methyl 4-[4-(2-{(2Z)-2-[2-(4-benzyl-1-piperazinyl)benzylidene]hydrazino}-2-oxoethoxy)-3-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC34H38N6O5S
  • Average mass642.768 Da
  • Monoisotopic mass642.262451 Da
  • ChemSpider ID82891249

  • 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-(4-Benzyl-1-pipérazinyl)benzylidène]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, 1,2,3,4-tetrahydro-4-[3-methoxy-4-[2-oxo-2-[(2Z)-2-[[2-[4-(phenylmethyl)-1-piperazinyl]phenyl]methylene]hydrazinyl]ethoxy]phenyl]-6-methyl-2-thioxo-, methyl ester [ACD/Index Name]
Methyl 4-[4-(2-{(2Z)-2-[2-(4-benzyl-1-piperazinyl)benzylidene]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-(4-benzyl-1-piperazinyl)benzyliden]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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 179.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 54.24
ACD/KOC (pH 5.5): 355.44
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 331.76
ACD/KOC (pH 7.4): 2174.28
Polar Surface Area: 149 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 496.6±7.0 cm3

Click to predict properties on the Chemicalize site


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