2-[(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid
Chemical Structure Depiction of
2-[(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid
2-[(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid
Compound characteristics
| Compound ID: | 8011-5208 |
| Compound Name: | 2-[(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid |
| Molecular Weight: | 481.52 |
| Molecular Formula: | C23 H16 F N3 O4 S2 |
| Smiles: | C(C(Nc1ccc(cc1)F)=O)Sc1nc2ccc(cc2s1)NC(c1ccccc1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4228 |
| logD: | -0.02 |
| logSw: | -4.2657 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.697 |
| InChI Key: | HNZVXWIBGDZVPN-UHFFFAOYSA-N |