N-[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine
Chemical Structure Depiction of
N-[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine
N-[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine
Compound characteristics
| Compound ID: | K060-0028 |
| Compound Name: | N-[3-(benzylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine |
| Molecular Weight: | 339.37 |
| Molecular Formula: | C16 H13 N5 O2 S |
| Smiles: | C(c1ccccc1)Sc1nncn1/N=C/c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6748 |
| logD: | 2.6744 |
| logSw: | -2.942 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.024 |
| InChI Key: | ATHCXGFJQKMRRF-UHFFFAOYSA-N |