N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(2,3-dimethoxyphenyl)methanimine
Chemical Structure Depiction of
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(2,3-dimethoxyphenyl)methanimine
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(2,3-dimethoxyphenyl)methanimine
Compound characteristics
| Compound ID: | Y502-4784 |
| Compound Name: | N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(2,3-dimethoxyphenyl)methanimine |
| Molecular Weight: | 328.34 |
| Molecular Formula: | C13 H14 F2 N4 O2 S |
| Smiles: | COc1cccc(/C=N/n2c(C(F)F)nnc2SC)c1OC |
| Stereo: | ACHIRAL |
| logP: | 2.0803 |
| logD: | 2.0777 |
| logSw: | -2.4233 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.224 |
| InChI Key: | GWESQICYMUGDQC-UHFFFAOYSA-N |