2-methyl-4-phenyl-5-{1-[(thiophen-2-yl)acetyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-4-phenyl-5-{1-[(thiophen-2-yl)acetyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-4-phenyl-5-{1-[(thiophen-2-yl)acetyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0629 |
| Compound Name: | 2-methyl-4-phenyl-5-{1-[(thiophen-2-yl)acetyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Smiles: | CN1C(N(C(C2CCN(CC2)C(Cc2cccs2)=O)=N1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5429 |
| logD: | 2.5427 |
| logSw: | -2.3654 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.624 |
| InChI Key: | XCAYPNZMVYVPNR-UHFFFAOYSA-N |