5-(difluoromethyl)-4-[({4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(difluoromethyl)-4-[({4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
5-(difluoromethyl)-4-[({4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9905 |
| Compound Name: | 5-(difluoromethyl)-4-[({4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 449.43 |
| Molecular Formula: | C19 H17 F2 N5 O4 S |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)OCc1cc(/C=N/n2c(C(F)F)nnc2S)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.9503 |
| logD: | 2.2045 |
| logSw: | -3.3428 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.375 |
| InChI Key: | ZOEQUHBWXXWQHW-UHFFFAOYSA-N |