N-[3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(2-methylphenoxy)methyl]furan-2-yl}methanimine
Chemical Structure Depiction of
N-[3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(2-methylphenoxy)methyl]furan-2-yl}methanimine
N-[3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(2-methylphenoxy)methyl]furan-2-yl}methanimine
Compound characteristics
| Compound ID: | Y508-8914 |
| Compound Name: | N-[3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(2-methylphenoxy)methyl]furan-2-yl}methanimine |
| Molecular Weight: | 342.42 |
| Molecular Formula: | C17 H18 N4 O2 S |
| Smiles: | Cc1ccccc1OCc1ccc(/C=N/n2c(C)nnc2SC)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.3276 |
| logD: | 3.3273 |
| logSw: | -3.5453 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.979 |
| InChI Key: | VLLMOQIMZHDYSI-UHFFFAOYSA-N |