4-[1-(3-methoxybenzene-1-sulfonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-[1-(3-methoxybenzene-1-sulfonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[1-(3-methoxybenzene-1-sulfonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0288 |
| Compound Name: | 4-[1-(3-methoxybenzene-1-sulfonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C16 H22 N4 O4 S |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)S(c1cccc(c1)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.984 |
| logD: | 1.984 |
| logSw: | -2.508 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.416 |
| InChI Key: | RHQAFOBTZVGMEI-UHFFFAOYSA-N |