4-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0279 |
| Compound Name: | 4-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 336.41 |
| Molecular Formula: | C15 H20 N4 O3 S |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)S(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8194 |
| logD: | 1.8193 |
| logSw: | -2.1927 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.873 |
| InChI Key: | RJJBLAYMSJDWES-UHFFFAOYSA-N |