1-[5-(methylsulfanyl)-3-(4-nitrophenyl)-1H-1,2,4-triazol-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-(methylsulfanyl)-3-(4-nitrophenyl)-1H-1,2,4-triazol-1-yl]ethan-1-one
1-[5-(methylsulfanyl)-3-(4-nitrophenyl)-1H-1,2,4-triazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8009-3044 |
| Compound Name: | 1-[5-(methylsulfanyl)-3-(4-nitrophenyl)-1H-1,2,4-triazol-1-yl]ethan-1-one |
| Molecular Weight: | 278.29 |
| Molecular Formula: | C11 H10 N4 O3 S |
| Smiles: | CC(n1c(nc(c2ccc(cc2)[N+]([O-])=O)n1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3664 |
| logD: | 2.3664 |
| logSw: | -2.5946 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.788 |
| InChI Key: | MWQSUSMEIQAOJV-UHFFFAOYSA-N |