4-[({4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
4-[({4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9806 |
| Compound Name: | 4-[({4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C19 H19 N5 O4 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)OCc1cc(/C=N/n2c(C)nnc2S)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.9729 |
| logD: | 2.2271 |
| logSw: | -3.3286 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.066 |
| InChI Key: | KZOGBULKJAKPFS-UHFFFAOYSA-N |