N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(2-methylphenoxy)methyl]furan-2-yl}methanimine
Chemical Structure Depiction of
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(2-methylphenoxy)methyl]furan-2-yl}methanimine
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(2-methylphenoxy)methyl]furan-2-yl}methanimine
Compound characteristics
| Compound ID: | Y503-3956 |
| Compound Name: | N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(2-methylphenoxy)methyl]furan-2-yl}methanimine |
| Molecular Weight: | 378.4 |
| Molecular Formula: | C17 H16 F2 N4 O2 S |
| Smiles: | Cc1ccccc1OCc1ccc(/C=N/n2c(C(F)F)nnc2SC)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.6672 |
| logD: | 3.6669 |
| logSw: | -3.8786 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.202 |
| InChI Key: | VLSPQHPADJQKQV-UHFFFAOYSA-N |