N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(4-nitrophenoxy)methyl]furan-2-yl}methanimine
Chemical Structure Depiction of
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(4-nitrophenoxy)methyl]furan-2-yl}methanimine
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(4-nitrophenoxy)methyl]furan-2-yl}methanimine
Compound characteristics
| Compound ID: | Y502-5631 |
| Compound Name: | N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(4-nitrophenoxy)methyl]furan-2-yl}methanimine |
| Molecular Weight: | 409.37 |
| Molecular Formula: | C16 H13 F2 N5 O4 S |
| Smiles: | CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(cc2)[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.1181 |
| logD: | 3.1178 |
| logSw: | -3.3207 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.497 |
| InChI Key: | VACSHWIMCABQMA-UHFFFAOYSA-N |