ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | C089-0458 |
| Compound Name: | ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate |
| Molecular Weight: | 623.77 |
| Molecular Formula: | C32 H41 N5 O6 S |
| Smiles: | CCN1CCN(CCCN2C(CC(Nc3ccc(cc3)C(=O)OCC)=O)C(N(C2=S)c2ccc(cc2)C(=O)OCC)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3932 |
| logD: | 2.445 |
| logSw: | -3.6046 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.402 |
| InChI Key: | HFFOXGYSNMZOAK-HHHXNRCGSA-N |