1-(4-fluorophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-fluorophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(4-fluorophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 3996-0011 |
| Compound Name: | 1-(4-fluorophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 251.28 |
| Molecular Formula: | C11 H10 F N3 O S |
| Smiles: | Cc1nnc([nH]1)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2459 |
| logD: | 0.8147 |
| logSw: | -2.2288 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.605 |
| InChI Key: | PKYMXTYLQVXTMD-UHFFFAOYSA-N |