3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-4-methylbenzoic acid
Chemical Structure Depiction of
3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-4-methylbenzoic acid
3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-4-methylbenzoic acid
Compound characteristics
| Compound ID: | D086-0229 |
| Compound Name: | 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-4-methylbenzoic acid |
| Molecular Weight: | 365.41 |
| Molecular Formula: | C19 H15 N3 O3 S |
| Smiles: | Cc1ccc(cc1N1CC(C(=C1N)c1nc2ccccc2s1)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7362 |
| logD: | 1.4684 |
| logSw: | -4.1273 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.527 |
| InChI Key: | XRPNIBATQNFMLD-UHFFFAOYSA-N |