4-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
Compound ID: | S794-0604 |
Compound Name: | 4-[1-(benzenesulfonyl)piperidin-4-yl]-5-cyclopropyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
Molecular Weight: | 362.45 |
Molecular Formula: | C17 H22 N4 O3 S |
Smiles: | CN1C(N(C2CCN(CC2)S(c2ccccc2)(=O)=O)C(C2CC2)=N1)=O |
Stereo: | ACHIRAL |
logP: | 2.5715 |
logD: | 2.5689 |
logSw: | -2.5757 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 63.36 |
InChI Key: | LKEKRXBWEWZKAR-UHFFFAOYSA-N |