5-[1-(3,4-dimethoxybenzene-1-sulfonyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(3,4-dimethoxybenzene-1-sulfonyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(3,4-dimethoxybenzene-1-sulfonyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0098 |
| Compound Name: | 5-[1-(3,4-dimethoxybenzene-1-sulfonyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C18 H26 N4 O5 S |
| Smiles: | CCN1C(C2CCN(CC2)S(c2ccc(c(c2)OC)OC)(=O)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.9426 |
| logD: | 1.9421 |
| logSw: | -2.5667 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.065 |
| InChI Key: | HHVYQXMQCSBOOW-UHFFFAOYSA-N |