3-(benzylsulfanyl)-4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(benzylsulfanyl)-4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazole
3-(benzylsulfanyl)-4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | K822-0070 |
| Compound Name: | 3-(benzylsulfanyl)-4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C16 H14 N4 O2 S |
| Smiles: | Cn1c(c2cccc(c2)[N+]([O-])=O)nnc1SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4835 |
| logD: | 3.4835 |
| logSw: | -3.8615 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.432 |
| InChI Key: | FUZXUPYLGNXPKT-UHFFFAOYSA-N |