ethyl N-[(2-acetamido-1,3-benzothiazol-5-yl)carbamoyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[(2-acetamido-1,3-benzothiazol-5-yl)carbamoyl]-beta-alaninate
ethyl N-[(2-acetamido-1,3-benzothiazol-5-yl)carbamoyl]-beta-alaninate
Compound characteristics
| Compound ID: | L495-0377 |
| Compound Name: | ethyl N-[(2-acetamido-1,3-benzothiazol-5-yl)carbamoyl]-beta-alaninate |
| Molecular Weight: | 350.39 |
| Molecular Formula: | C15 H18 N4 O4 S |
| Smiles: | [H]c1cc2c(cc1NC(NCCC(=O)OCC)=O)nc(NC(C)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.1242 |
| logD: | 2.1242 |
| logSw: | -2.9643 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.159 |
| InChI Key: | CQXUYIMZHSQUDW-UHFFFAOYSA-N |