methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | 4514-1184 |
| Compound Name: | methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 591.68 |
| Molecular Formula: | C31 H33 N3 O7 S |
| Smiles: | CCOc1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)C(=O)OC)=O)N(CCc2ccc(c(c2)OC)OC)C1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9937 |
| logD: | 3.9934 |
| logSw: | -4.1708 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.934 |
| InChI Key: | UZIXWWOLPJZXNV-RUZDIDTESA-N |