2-methyl-5-{1-[(3-methylphenyl)acetyl]piperidin-4-yl}-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-5-{1-[(3-methylphenyl)acetyl]piperidin-4-yl}-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-5-{1-[(3-methylphenyl)acetyl]piperidin-4-yl}-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1354 |
| Compound Name: | 2-methyl-5-{1-[(3-methylphenyl)acetyl]piperidin-4-yl}-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 356.47 |
| Molecular Formula: | C20 H28 N4 O2 |
| Smiles: | CC(C)N1C(C2CCN(CC2)C(Cc2cccc(C)c2)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.3415 |
| logD: | 3.3353 |
| logSw: | -3.2123 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.21 |
| InChI Key: | CDHPYXALKRVSEP-UHFFFAOYSA-N |