ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-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-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | C148-0464 |
| Compound Name: | ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate |
| Molecular Weight: | 609.75 |
| Molecular Formula: | C31 H39 N5 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCN(C)CC1)=S)c1ccc(cc1)C(=O)OCC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0485 |
| logD: | 2.2338 |
| logSw: | -3.3541 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.342 |
| InChI Key: | XWHZYNVAIZHEAV-AREMUKBSSA-N |