ethyl N-(4-{[5-(dimethylcarbamoyl)-1,3-benzoxazol-2-yl]methyl}piperazine-1-carbonyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-(4-{[5-(dimethylcarbamoyl)-1,3-benzoxazol-2-yl]methyl}piperazine-1-carbonyl)-beta-alaninate
ethyl N-(4-{[5-(dimethylcarbamoyl)-1,3-benzoxazol-2-yl]methyl}piperazine-1-carbonyl)-beta-alaninate
Compound characteristics
| Compound ID: | L407-0260 |
| Compound Name: | ethyl N-(4-{[5-(dimethylcarbamoyl)-1,3-benzoxazol-2-yl]methyl}piperazine-1-carbonyl)-beta-alaninate |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C21 H29 N5 O5 |
| Smiles: | CCOC(CCNC(N1CCN(CC1)Cc1nc2cc(ccc2o1)C(N(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1218 |
| logD: | 0.0985 |
| logSw: | -1.9866 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.59 |
| InChI Key: | UHOHWKQUBAPKHZ-UHFFFAOYSA-N |