4-cyclopentyl-5-[1-(3,4-difluorobenzene-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-(3,4-difluorobenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-5-[1-(3,4-difluorobenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0407 |
| Compound Name: | 4-cyclopentyl-5-[1-(3,4-difluorobenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 426.48 |
| Molecular Formula: | C19 H24 F2 N4 O3 S |
| Smiles: | CN1C(N(C2CCCC2)C(C2CCN(CC2)S(c2ccc(c(c2)F)F)(=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4209 |
| logD: | 3.4164 |
| logSw: | -3.725 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.395 |
| InChI Key: | DKQHDOUMLFYCSA-UHFFFAOYSA-N |