ChemSpider 2D Image | Methyl 4-[4-(2-{(2Z)-2-[3-chloro-5-methoxy-4-(2-methoxy-2-oxoethoxy)benzylidene]hydrazino}-2-oxoethoxy)-3-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C27H29ClN4O9S

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

  • Molecular FormulaC27H29ClN4O9S
  • Average mass621.059 Da
  • Monoisotopic mass620.134399 Da
  • ChemSpider ID101371098

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[4-(2-{(2Z)-2-[3-Chloro-5-méthoxy-4-(2-méthoxy-2-oxoéthoxy)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, 4-[4-[2-[(2Z)-2-[[3-chloro-5-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, methyl este r [ACD/Index Name]
Methyl 4-[4-(2-{(2Z)-2-[3-chloro-5-methoxy-4-(2-methoxy-2-oxoethoxy)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-[3-chlor-5-methoxy-4-(2-methoxy-2-oxoethoxy)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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.607
Molar Refractivity: 153.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 134.62
ACD/KOC (pH 5.5): 1163.10
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 134.57
ACD/KOC (pH 7.4): 1162.72
Polar Surface Area: 187 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 444.1±7.0 cm3

Click to predict properties on the Chemicalize site


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