3-nitro-2-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
Chemical Structure Depiction of
3-nitro-2-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
3-nitro-2-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
Compound characteristics
| Compound ID: | 8008-5292 |
| Compound Name: | 3-nitro-2-[(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid |
| Molecular Weight: | 347.35 |
| Molecular Formula: | C15 H13 N3 O5 S |
| Smiles: | C1CCc2c(C1)nc(NC(c1c(cccc1[N+]([O-])=O)C(O)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.3168 |
| logD: | -1.5516 |
| logSw: | -3.9435 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.286 |
| InChI Key: | ZZIXXUGCGLCHSZ-UHFFFAOYSA-N |