2-[(2-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid
Chemical Structure Depiction of
2-[(2-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid
2-[(2-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid
Compound characteristics
| Compound ID: | 3448-7272 |
| Compound Name: | 2-[(2-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid |
| Molecular Weight: | 505.57 |
| Molecular Formula: | C25 H19 N3 O5 S2 |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nc2ccc(cc2s1)NC(c1ccccc1C(O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9359 |
| logD: | -0.507 |
| logSw: | -3.8546 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.524 |
| InChI Key: | CNGVFIOHCRDNIX-UHFFFAOYSA-N |