methyl 4-{2-[1-(3,4-dichlorophenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[1-(3,4-dichlorophenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
methyl 4-{2-[1-(3,4-dichlorophenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8011-7094 |
| Compound Name: | methyl 4-{2-[1-(3,4-dichlorophenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate |
| Molecular Weight: | 556.47 |
| Molecular Formula: | C27 H23 Cl2 N3 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CC1C(N(C(N1CCc1ccccc1)=S)c1ccc(c(c1)[Cl])[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4467 |
| logD: | 5.4463 |
| logSw: | -5.9791 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.549 |
| InChI Key: | VPYXFUQYXLVJFY-HSZRJFAPSA-N |