N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-chloro-4-nitrobenzamide
Chemical Structure Depiction of
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-chloro-4-nitrobenzamide
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-chloro-4-nitrobenzamide
Compound characteristics
| Compound ID: | 7828-0319 |
| Compound Name: | N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-chloro-4-nitrobenzamide |
| Molecular Weight: | 439.88 |
| Molecular Formula: | C21 H14 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.5779 |
| logD: | 5.5703 |
| logSw: | -6.0296 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.093 |
| InChI Key: | PEXSGELDPUOFLV-UHFFFAOYSA-N |