ethyl N-{[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)piperidin-4-yl]carbamoyl}-beta-alaninate
Chemical Structure Depiction of
ethyl N-{[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)piperidin-4-yl]carbamoyl}-beta-alaninate
ethyl N-{[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)piperidin-4-yl]carbamoyl}-beta-alaninate
Compound characteristics
| Compound ID: | T377-0001 |
| Compound Name: | ethyl N-{[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)piperidin-4-yl]carbamoyl}-beta-alaninate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C21 H28 N4 O5 S |
| Smiles: | CCOC(CCNC(NC1CCN(CC1)C1C(C)=C(c2ccccc2)S(N=1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6438 |
| logD: | 1.6438 |
| logSw: | -2.4153 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.882 |
| InChI Key: | YAMJAHXYURULLO-UHFFFAOYSA-N |