4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobut-2-enoic acid
4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 2488-0092 |
| Compound Name: | 4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobut-2-enoic acid |
| Molecular Weight: | 262.28 |
| Molecular Formula: | C12 H10 N2 O3 S |
| Smiles: | Cc1cccc2c1nc(NC(/C=C/C(O)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.8264 |
| logD: | -1.632 |
| logSw: | -3.0804 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.303 |
| InChI Key: | CGQBOJLXCIXBEP-AATRIKPKSA-N |