2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
Chemical Structure Depiction of
2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
Compound characteristics
| Compound ID: | 8014-1678 |
| Compound Name: | 2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one |
| Molecular Weight: | 359.36 |
| Molecular Formula: | C14 H13 N7 O3 S |
| Smiles: | Cn1c(Cn2cnc(n2)[N+]([O-])=O)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7041 |
| logD: | 0.7041 |
| logSw: | -1.9713 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 95.941 |
| InChI Key: | FOGIQZMITMSHIN-UHFFFAOYSA-N |