methyl 4-{2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
methyl 4-{2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | 5593-1142 |
| Compound Name: | methyl 4-{2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CN1C(C(CC(Nc2ccc(cc2)C(=O)OC)=O)N(CCc2ccccc2)C1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7435 |
| logD: | 2.7431 |
| logSw: | -3.4023 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.198 |
| InChI Key: | POIFPJWWMBNHFP-GOSISDBHSA-N |