4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid
4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 1514-0247 |
| Compound Name: | 4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid |
| Molecular Weight: | 295.27 |
| Molecular Formula: | C11 H9 N3 O5 S |
| Smiles: | C(CC(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.452 |
| logD: | -1.4974 |
| logSw: | -2.4246 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.914 |
| InChI Key: | LQHJILZMMCKEKG-UHFFFAOYSA-N |