2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-nitrobenzoic acid
Chemical Structure Depiction of
2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-nitrobenzoic acid
2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | 8010-0610 |
| Compound Name: | 2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-nitrobenzoic acid |
| Molecular Weight: | 357.34 |
| Molecular Formula: | C16 H11 N3 O5 S |
| Smiles: | Cc1cccc2c1nc(NC(c1c(cccc1[N+]([O-])=O)C(O)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.7721 |
| logD: | -1.0962 |
| logSw: | -4.2673 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.35 |
| InChI Key: | YTJYQLAQTUUDFR-UHFFFAOYSA-N |