N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-3-nitrobenzamide
N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8188-1177 |
| Compound Name: | N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-3-nitrobenzamide |
| Molecular Weight: | 409.85 |
| Molecular Formula: | C20 H12 Cl N3 O3 S |
| Smiles: | c1ccc2c(c1)nc(c1cc(ccc1NC(c1cccc(c1)[N+]([O-])=O)=O)[Cl])s2 |
| Stereo: | ACHIRAL |
| logP: | 5.7182 |
| logD: | 5.6681 |
| logSw: | -5.9642 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.462 |
| InChI Key: | ZGXPQDFAVFQSNQ-UHFFFAOYSA-N |