ethyl 4-{3-[3-(4-carbamoylpiperidin-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-carbamoylpiperidin-1-yl)propyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{3-[3-(4-carbamoylpiperidin-1-yl)propyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 8015-1927 |
| Compound Name: | ethyl 4-{3-[3-(4-carbamoylpiperidin-1-yl)propyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 623.77 |
| Molecular Formula: | C32 H41 N5 O6 S |
| Smiles: | CCCOc1ccc(cc1)NC(CC1C(N(C(N1CCCN1CCC(CC1)C(N)=O)=S)c1ccc(cc1)C(=O)OCC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.04 |
| logD: | 0.2341 |
| logSw: | -3.3043 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.588 |
| InChI Key: | LENCEFCQRSFUSM-HHHXNRCGSA-N |