N-[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-bromophenyl)methanimine
Chemical Structure Depiction of
N-[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-bromophenyl)methanimine
N-[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-bromophenyl)methanimine
Compound characteristics
| Compound ID: | K060-0055 |
| Compound Name: | N-[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-bromophenyl)methanimine |
| Molecular Weight: | 373.27 |
| Molecular Formula: | C16 H13 Br N4 S |
| Smiles: | C(c1ccccc1)Sc1nncn1/N=C/c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.583 |
| logD: | 3.5827 |
| logSw: | -3.5391 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.643 |
| InChI Key: | NTKQBWWPOWMUGI-UHFFFAOYSA-N |