4-[({3-methoxy-4-[(4-nitro-1H-pyrazol-1-yl)methoxy]phenyl}methylidene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({3-methoxy-4-[(4-nitro-1H-pyrazol-1-yl)methoxy]phenyl}methylidene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
4-[({3-methoxy-4-[(4-nitro-1H-pyrazol-1-yl)methoxy]phenyl}methylidene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8754 |
| Compound Name: | 4-[({3-methoxy-4-[(4-nitro-1H-pyrazol-1-yl)methoxy]phenyl}methylidene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 443.36 |
| Molecular Formula: | C15 H12 F3 N7 O4 S |
| Smiles: | COc1cc(/C=N/n2c(C(F)(F)F)nnc2S)ccc1OCn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7306 |
| logD: | 0.9847 |
| logSw: | -2.0105 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.929 |
| InChI Key: | WDDJLRQFPINWMJ-UHFFFAOYSA-N |