4-cyclopentyl-5-{1-[(2-fluorophenyl)methanesulfonyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-cyclopentyl-5-{1-[(2-fluorophenyl)methanesulfonyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-5-{1-[(2-fluorophenyl)methanesulfonyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0566 |
| Compound Name: | 4-cyclopentyl-5-{1-[(2-fluorophenyl)methanesulfonyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C20 H27 F N4 O3 S |
| Smiles: | CN1C(N(C2CCCC2)C(C2CCN(CC2)S(Cc2ccccc2F)(=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1433 |
| logD: | 3.1388 |
| logSw: | -3.1901 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.289 |
| InChI Key: | QKXIIJAOVNGYOF-UHFFFAOYSA-N |