2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-3-nitrobenzoic acid
Chemical Structure Depiction of
2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-3-nitrobenzoic acid
2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | 8010-0413 |
| Compound Name: | 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-3-nitrobenzoic acid |
| Molecular Weight: | 307.28 |
| Molecular Formula: | C12 H9 N3 O5 S |
| Smiles: | Cc1csc(NC(c2c(cccc2[N+]([O-])=O)C(O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.2171 |
| logD: | -2.6512 |
| logSw: | -2.8876 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.671 |
| InChI Key: | KDVJUXOKBSBORK-UHFFFAOYSA-N |