ethyl 4-{4-[2-(4-bromoanilino)-2-oxoethyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[2-(4-bromoanilino)-2-oxoethyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{4-[2-(4-bromoanilino)-2-oxoethyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | C148-0216 |
| Compound Name: | ethyl 4-{4-[2-(4-bromoanilino)-2-oxoethyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 602.55 |
| Molecular Formula: | C27 H32 Br N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)[Br])=O)N(CCN2CCN(C)CC2)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1449 |
| logD: | 1.9005 |
| logSw: | -3.3291 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.588 |
| InChI Key: | RQQHAAOXEPBHQN-QHCPKHFHSA-N |