2-methyl-5-[1-(4-methylpyridine-3-carbonyl)piperidin-4-yl]-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-5-[1-(4-methylpyridine-3-carbonyl)piperidin-4-yl]-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-5-[1-(4-methylpyridine-3-carbonyl)piperidin-4-yl]-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1138 |
| Compound Name: | 2-methyl-5-[1-(4-methylpyridine-3-carbonyl)piperidin-4-yl]-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C23 H27 N5 O2 |
| Smiles: | Cc1ccncc1C(N1CCC(CC1)C1=NN(C)C(N1CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8735 |
| logD: | 2.8729 |
| logSw: | -2.7962 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.241 |
| InChI Key: | USRDMIWCMXMGLU-UHFFFAOYSA-N |