N-[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(2,4-dichlorophenyl)methanimine
Chemical Structure Depiction of
N-[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(2,4-dichlorophenyl)methanimine
N-[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(2,4-dichlorophenyl)methanimine
Compound characteristics
| Compound ID: | K060-0037 |
| Compound Name: | N-[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(2,4-dichlorophenyl)methanimine |
| Molecular Weight: | 363.27 |
| Molecular Formula: | C16 H12 Cl2 N4 S |
| Smiles: | C(c1ccccc1)Sc1nncn1/N=C/c1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4429 |
| logD: | 4.4428 |
| logSw: | -4.5433 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.643 |
| InChI Key: | ZKNOAJKQYUSYMR-UHFFFAOYSA-N |