2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
Chemical Structure Depiction of
2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
Compound characteristics
| Compound ID: | 1786-0087 |
| Compound Name: | 2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid |
| Molecular Weight: | 343.32 |
| Molecular Formula: | C15 H9 N3 O5 S |
| Smiles: | c1ccc(C(Nc2nc3ccc(cc3s2)[N+]([O-])=O)=O)c(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0371 |
| logD: | -1.4057 |
| logSw: | -3.6302 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.881 |
| InChI Key: | NYQXEQMZAAOQLU-UHFFFAOYSA-N |