5-[chloro(difluoro)methyl]-4-[({4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[chloro(difluoro)methyl]-4-[({4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
5-[chloro(difluoro)methyl]-4-[({4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-7500 |
| Compound Name: | 5-[chloro(difluoro)methyl]-4-[({4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 469.85 |
| Molecular Formula: | C18 H14 Cl F2 N5 O4 S |
| Smiles: | COc1ccc(/C=N/n2c(C(F)(F)[Cl])nnc2S)cc1COc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8751 |
| logD: | 3.1293 |
| logSw: | -4.6438 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.59 |
| InChI Key: | WDTFAETXUAYNNL-UHFFFAOYSA-N |