N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-chloro-3-nitrobenzamide
Chemical Structure Depiction of
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-chloro-3-nitrobenzamide
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-chloro-3-nitrobenzamide
Compound characteristics
| Compound ID: | 7840-2715 |
| Compound Name: | N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-chloro-3-nitrobenzamide |
| Molecular Weight: | 439.88 |
| Molecular Formula: | C21 H14 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.317 |
| logD: | 5.2512 |
| logSw: | -6.0211 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.792 |
| InChI Key: | AXGFZTZVLJNHMV-UHFFFAOYSA-N |