5-cyclopropyl-4-[1-(3-fluorobenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-cyclopropyl-4-[1-(3-fluorobenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-cyclopropyl-4-[1-(3-fluorobenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0609 |
| Compound Name: | 5-cyclopropyl-4-[1-(3-fluorobenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 380.44 |
| Molecular Formula: | C17 H21 F N4 O3 S |
| Smiles: | CN1C(N(C2CCN(CC2)S(c2cccc(c2)F)(=O)=O)C(C2CC2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.846 |
| logD: | 2.8434 |
| logSw: | -3.3078 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.36 |
| InChI Key: | XSEMQKVCJUYQJS-UHFFFAOYSA-N |