ethyl N-{4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]piperazine-1-carbonyl}-beta-alaninate
Chemical Structure Depiction of
ethyl N-{4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]piperazine-1-carbonyl}-beta-alaninate
ethyl N-{4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]piperazine-1-carbonyl}-beta-alaninate
Compound characteristics
| Compound ID: | F874-0798 |
| Compound Name: | ethyl N-{4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]piperazine-1-carbonyl}-beta-alaninate |
| Molecular Weight: | 394.86 |
| Molecular Formula: | C18 H23 Cl N4 O4 |
| Smiles: | CCOC(CCNC(N1CCN(CC1)Cc1nc2cc(ccc2o1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1491 |
| logD: | 2.1258 |
| logSw: | -3.2164 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.589 |
| InChI Key: | WLEBMJSQKAAWRB-UHFFFAOYSA-N |