4-cyclopentyl-5-[1-(5-fluoro-2-methoxybenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-cyclopentyl-5-[1-(5-fluoro-2-methoxybenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-5-[1-(5-fluoro-2-methoxybenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0420 |
| Compound Name: | 4-cyclopentyl-5-[1-(5-fluoro-2-methoxybenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C20 H27 F N4 O4 S |
| Smiles: | CN1C(N(C2CCCC2)C(C2CCN(CC2)S(c2cc(ccc2OC)F)(=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9141 |
| logD: | 2.9096 |
| logSw: | -3.1823 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.025 |
| InChI Key: | VBLKGGULBQTJCX-UHFFFAOYSA-N |