N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-4-methoxy-3-nitrobenzamide
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2026-3301 |
| Compound Name: | N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 421.43 |
| Molecular Formula: | C21 H15 N3 O5 S |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(c(c1)c1nc2ccccc2s1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9799 |
| logD: | 4.9796 |
| logSw: | -4.4329 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.038 |
| InChI Key: | ZRVNZTQTTIDLMY-UHFFFAOYSA-N |