2-[(2-{[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid
Chemical Structure Depiction of
2-[(2-{[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid
2-[(2-{[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid
Compound characteristics
| Compound ID: | 4489-7858 |
| Compound Name: | 2-[(2-{[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid |
| Molecular Weight: | 526.52 |
| Molecular Formula: | C23 H15 F N4 O6 S2 |
| Smiles: | C(C(Nc1ccc(c(c1)[N+]([O-])=O)F)=O)Sc1nc2ccc(cc2s1)NC(c1ccccc1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3533 |
| logD: | -0.0895 |
| logSw: | -4.3012 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.778 |
| InChI Key: | DNWVUOBSJGOHTB-UHFFFAOYSA-N |