4-[({5-[(4-nitrophenoxy)methyl]furan-2-yl}methylidene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({5-[(4-nitrophenoxy)methyl]furan-2-yl}methylidene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
4-[({5-[(4-nitrophenoxy)methyl]furan-2-yl}methylidene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9815 |
| Compound Name: | 4-[({5-[(4-nitrophenoxy)methyl]furan-2-yl}methylidene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 413.33 |
| Molecular Formula: | C15 H10 F3 N5 O4 S |
| Smiles: | C(c1ccc(/C=N/n2c(C(F)(F)F)nnc2S)o1)Oc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2055 |
| logD: | 2.7128 |
| logSw: | -3.4126 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.971 |
| InChI Key: | YTDACGOKEYPHFM-UHFFFAOYSA-N |