4-[1-(3-fluorobenzene-1-sulfonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-[1-(3-fluorobenzene-1-sulfonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[1-(3-fluorobenzene-1-sulfonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0284 |
| Compound Name: | 4-[1-(3-fluorobenzene-1-sulfonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 354.4 |
| Molecular Formula: | C15 H19 F N4 O3 S |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)S(c1cccc(c1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0938 |
| logD: | 2.0937 |
| logSw: | -2.6366 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.873 |
| InChI Key: | PQURVRLMTLJZLH-UHFFFAOYSA-N |