ethyl 4-(2-{1-(4-methylphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{1-(4-methylphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
ethyl 4-(2-{1-(4-methylphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C148-0238 |
| Compound Name: | ethyl 4-(2-{1-(4-methylphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 537.68 |
| Molecular Formula: | C28 H35 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1CCN1CCN(C)CC1)=S)c1ccc(C)cc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7344 |
| logD: | 1.49 |
| logSw: | -3.0822 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.588 |
| InChI Key: | UJXANAKVRLPNDO-XMMPIXPASA-N |