N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine
Chemical Structure Depiction of
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine
Compound characteristics
| Compound ID: | Y502-4789 |
| Compound Name: | N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine |
| Molecular Weight: | 313.28 |
| Molecular Formula: | C11 H9 F2 N5 O2 S |
| Smiles: | CSc1nnc(C(F)F)n1/N=C/c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.872 |
| logD: | 1.8716 |
| logSw: | -2.2725 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.258 |
| InChI Key: | WKILNJBMCQARSQ-UHFFFAOYSA-N |