ethyl N-({2-[(methanesulfonyl)amino]-1,3-benzothiazol-6-yl}carbamoyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-({2-[(methanesulfonyl)amino]-1,3-benzothiazol-6-yl}carbamoyl)-beta-alaninate
ethyl N-({2-[(methanesulfonyl)amino]-1,3-benzothiazol-6-yl}carbamoyl)-beta-alaninate
Compound characteristics
| Compound ID: | L366-0082 |
| Compound Name: | ethyl N-({2-[(methanesulfonyl)amino]-1,3-benzothiazol-6-yl}carbamoyl)-beta-alaninate |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C14 H18 N4 O5 S2 |
| Smiles: | [H]c1cc(cc2c1nc(NS(C)(=O)=O)s2)NC(NCCC(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6397 |
| logD: | 1.5079 |
| logSw: | -2.6194 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.764 |
| InChI Key: | QVRSEQHNFBJUTR-UHFFFAOYSA-N |