5-benzyl-4-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-benzyl-4-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-benzyl-4-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | CM4613-6181 |
| Compound Name: | 5-benzyl-4-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 430.5 |
| Molecular Formula: | C21 H23 F N4 O3 S |
| Smiles: | CN1C(N(C2CCN(CC2)S(c2ccccc2F)(=O)=O)C(Cc2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2692 |
| logD: | 3.2692 |
| logSw: | -3.4399 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.693 |
| InChI Key: | WPEKNDJLMAHZAW-UHFFFAOYSA-N |