2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(pyridin-2-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(pyridin-2-yl)ethan-1-one
2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(pyridin-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8018-6583 |
| Compound Name: | 2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(pyridin-2-yl)ethan-1-one |
| Molecular Weight: | 310.38 |
| Molecular Formula: | C16 H14 N4 O S |
| Smiles: | Cn1c(c2ccccc2)nnc1SCC(c1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3981 |
| logD: | 2.398 |
| logSw: | -2.4182 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.346 |
| InChI Key: | NVBLSMRJHNDOBB-UHFFFAOYSA-N |