4-[({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
4-[({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5644 |
| Compound Name: | 4-[({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 385.4 |
| Molecular Formula: | C17 H15 N5 O4 S |
| Smiles: | COc1cc(/C=N/n2cnnc2S)ccc1OCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1856 |
| logD: | 2.1371 |
| logSw: | -2.4941 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.714 |
| InChI Key: | IHQOGIRBXNOYRG-UHFFFAOYSA-N |