ethyl N-[(2-acetamido-1,3-benzothiazol-6-yl)carbamoyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[(2-acetamido-1,3-benzothiazol-6-yl)carbamoyl]-beta-alaninate
ethyl N-[(2-acetamido-1,3-benzothiazol-6-yl)carbamoyl]-beta-alaninate
Compound characteristics
| Compound ID: | F690-0183 |
| Compound Name: | ethyl N-[(2-acetamido-1,3-benzothiazol-6-yl)carbamoyl]-beta-alaninate |
| Molecular Weight: | 350.39 |
| Molecular Formula: | C15 H18 N4 O4 S |
| Smiles: | [H]c1cc(cc2c1nc(NC(C)=O)s2)NC(NCCC(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0583 |
| logD: | 2.0582 |
| logSw: | -2.9344 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.159 |
| InChI Key: | JQVZELLVFVZNCU-UHFFFAOYSA-N |