ethyl 4-{4-[2-(4-ethoxyanilino)-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-ethoxyanilino)-2-oxoethyl]-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{4-[2-(4-ethoxyanilino)-2-oxoethyl]-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | C089-0472 |
| Compound Name: | ethyl 4-{4-[2-(4-ethoxyanilino)-2-oxoethyl]-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 581.73 |
| Molecular Formula: | C30 H39 N5 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)OCC)=O)N(CCCN2CCN(C)CC2)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.816 |
| logD: | 2.0014 |
| logSw: | -3.3682 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.712 |
| InChI Key: | QQSMPCNSIVNJAE-AREMUKBSSA-N |