ethyl N-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamoyl}-beta-alaninate
Chemical Structure Depiction of
ethyl N-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamoyl}-beta-alaninate
ethyl N-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamoyl}-beta-alaninate
Compound characteristics
| Compound ID: | L320-0471 |
| Compound Name: | ethyl N-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamoyl}-beta-alaninate |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | CCOC(CCNC(Nc1ccc(cc1C)c1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7651 |
| logD: | 3.7651 |
| logSw: | -3.9448 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.886 |
| InChI Key: | CLJJGFMPOGENMW-UHFFFAOYSA-N |