ethyl N-[(2-benzamido-1,3-benzothiazol-5-yl)carbamoyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[(2-benzamido-1,3-benzothiazol-5-yl)carbamoyl]-beta-alaninate
ethyl N-[(2-benzamido-1,3-benzothiazol-5-yl)carbamoyl]-beta-alaninate
Compound characteristics
| Compound ID: | L495-0565 |
| Compound Name: | ethyl N-[(2-benzamido-1,3-benzothiazol-5-yl)carbamoyl]-beta-alaninate |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | [H]c1cc2c(cc1NC(NCCC(=O)OCC)=O)nc(NC(c1ccccc1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.5323 |
| logD: | 3.5297 |
| logSw: | -3.8086 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.988 |
| InChI Key: | MYGIZDSVUMNJSP-UHFFFAOYSA-N |