4-ethyl-5-[1-(4-ethylbenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-ethyl-5-[1-(4-ethylbenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-ethyl-5-[1-(4-ethylbenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0230 |
| Compound Name: | 4-ethyl-5-[1-(4-ethylbenzene-1-sulfonyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C18 H26 N4 O3 S |
| Smiles: | CCc1ccc(cc1)S(N1CCC(CC1)C1=NN(C)C(N1CC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.267 |
| logD: | 3.2665 |
| logSw: | -3.2377 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.804 |
| InChI Key: | OFISXDUGHKNGEZ-UHFFFAOYSA-N |