N-[5-(2-{2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[5-(2-{2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
N-[5-(2-{2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 1067-0693 |
| Compound Name: | N-[5-(2-{2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide |
| Molecular Weight: | 456.43 |
| Molecular Formula: | C19 H16 N6 O6 S |
| Smiles: | COc1cc(/C=N/NC(Cc2nnc(NC(c3ccc(cc3)[N+]([O-])=O)=O)s2)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 2.2022 |
| logD: | 1.7062 |
| logSw: | -2.8428 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 140.032 |
| InChI Key: | CKFQDBFVLWMKCN-UHFFFAOYSA-N |