ethyl 4-{4-(2-anilino-2-oxoethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-(2-anilino-2-oxoethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{4-(2-anilino-2-oxoethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | C148-0212 |
| Compound Name: | ethyl 4-{4-(2-anilino-2-oxoethyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 523.65 |
| Molecular Formula: | C27 H33 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccccc2)=O)N(CCN2CCN(C)CC2)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1192 |
| logD: | 0.8749 |
| logSw: | -2.7295 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.588 |
| InChI Key: | QSJDHUZXWMENLS-HSZRJFAPSA-N |