ChemSpider 2D Image | Ethyl 4-[4-(2-{2-[(1,1-dioxido-2,5-dihydro-3-thiophenyl)carbamothioyl]hydrazino}-2-oxoethoxy)-3-methoxyphenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C22H27N5O8S2

Ethyl 4-[4-(2-{2-[(1,1-dioxido-2,5-dihydro-3-thiophenyl)carbamothioyl]hydrazino}-2-oxoethoxy)-3-methoxyphenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC22H27N5O8S2
  • Average mass553.609 Da
  • Monoisotopic mass553.130127 Da
  • ChemSpider ID102420918

More details:

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

4-[4-(2-{2-[(1,1-Dioxydo-2,5-dihydro-3-thiophényl)carbamothioyl]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-[2-[[(2,5-dihydro-1,1-dioxido-3-thienyl)amino]thioxomethyl]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-[4-(2-{2-[(1,1-dioxido-2,5-dihydro-3-thiophenyl)carbamothioyl]hydrazino}-2-oxoethoxy)-3-methoxyphenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[4-(2-{2-[(1,1-dioxido-2,5-dihydro-3-thiophenyl)carbamothioyl]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: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.13
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.71
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.76
Polar Surface Area: 214 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 74.7±5.0 dyne/cm
Molar Volume: 370.1±5.0 cm3

Click to predict properties on the Chemicalize site


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