ethyl ({4-ethyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({4-ethyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({4-ethyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 8014-1683 |
| Compound Name: | ethyl ({4-ethyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 341.35 |
| Molecular Formula: | C11 H15 N7 O4 S |
| Smiles: | CCn1c(Cn2cnc(n2)[N+]([O-])=O)nnc1SCC(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 0.5076 |
| logD: | 0.5066 |
| logSw: | -1.4164 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 102.039 |
| InChI Key: | VWYPFECTOIZPEF-UHFFFAOYSA-N |