N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)methanimine
Chemical Structure Depiction of
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)methanimine
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)methanimine
Compound characteristics
| Compound ID: | Y500-8179 |
| Compound Name: | N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)methanimine |
| Molecular Weight: | 298.31 |
| Molecular Formula: | C12 H12 F2 N4 O S |
| Smiles: | COc1cccc(/C=N/n2c(C(F)F)nnc2SC)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.0695 |
| logD: | 2.0666 |
| logSw: | -2.3561 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.42 |
| InChI Key: | KLDNXOGYEJFLAE-UHFFFAOYSA-N |