3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid
Chemical Structure Depiction of
3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid
3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | D086-0259 |
| Compound Name: | 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid |
| Molecular Weight: | 351.38 |
| Molecular Formula: | C18 H13 N3 O3 S |
| Smiles: | C1C(C(=C(N)N1c1cccc(c1)C(O)=O)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2329 |
| logD: | 0.5477 |
| logSw: | -3.5177 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.828 |
| InChI Key: | FDMIMQAYGAASAJ-UHFFFAOYSA-N |