5-[1-(1-ethyl-1H-pyrazole-4-sulfonyl)piperidin-4-yl]-2-methyl-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(1-ethyl-1H-pyrazole-4-sulfonyl)piperidin-4-yl]-2-methyl-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(1-ethyl-1H-pyrazole-4-sulfonyl)piperidin-4-yl]-2-methyl-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1227 |
| Compound Name: | 5-[1-(1-ethyl-1H-pyrazole-4-sulfonyl)piperidin-4-yl]-2-methyl-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C21 H28 N6 O3 S |
| Smiles: | CCn1cc(cn1)S(N1CCC(CC1)C1=NN(C)C(N1CCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1933 |
| logD: | 2.1932 |
| logSw: | -2.1767 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.288 |
| InChI Key: | OZTZZBVFKGTIJY-UHFFFAOYSA-N |