N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-4-chloro-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-4-chloro-3-nitrobenzamide
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-4-chloro-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2081-1206 |
| Compound Name: | N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-4-chloro-3-nitrobenzamide |
| Molecular Weight: | 425.85 |
| Molecular Formula: | C20 H12 Cl N3 O4 S |
| Smiles: | c1ccc2c(c1)nc(c1cc(ccc1O)NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.6964 |
| logD: | 5.6922 |
| logSw: | -5.5803 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.407 |
| InChI Key: | XSTHVYKOSGPAEI-UHFFFAOYSA-N |