ethyl 4-{3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | C089-0507 |
| Compound Name: | ethyl 4-{3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 595.76 |
| Molecular Formula: | C31 H41 N5 O5 S |
| Smiles: | CCCOc1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(C)CC1)=S)c1ccc(cc1)C(=O)OCC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4064 |
| logD: | 2.5918 |
| logSw: | -3.6109 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.006 |
| InChI Key: | XGQVDPGIVSTFAA-HHHXNRCGSA-N |