ethyl 4-{4-[2-(4-methoxyanilino)-2-oxoethyl]-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[2-(4-methoxyanilino)-2-oxoethyl]-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{4-[2-(4-methoxyanilino)-2-oxoethyl]-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | C089-0471 |
| Compound Name: | ethyl 4-{4-[2-(4-methoxyanilino)-2-oxoethyl]-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 567.71 |
| Molecular Formula: | C29 H37 N5 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)OC)=O)N(CCCN2CCN(C)CC2)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4295 |
| logD: | 1.6148 |
| logSw: | -2.8146 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.132 |
| InChI Key: | OLNUPTAWHOXURS-RUZDIDTESA-N |