ethyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
ethyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
Compound ID: | 8014-7622 |
Compound Name: | ethyl 4-(2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
Molecular Weight: | 545.61 |
Molecular Formula: | C29 H27 N3 O6 S |
Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(Cc2ccccc2)C(N1Cc1ccc2c(c1)OCO2)=S)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.4963 |
logD: | 4.4959 |
logSw: | -4.3324 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.878 |
InChI Key: | HJAQJQBNEJHOKH-HSZRJFAPSA-N |