5-{1-[(3-methoxyphenyl)acetyl]piperidin-4-yl}-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[(3-methoxyphenyl)acetyl]piperidin-4-yl}-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(3-methoxyphenyl)acetyl]piperidin-4-yl}-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0607 |
| Compound Name: | 5-{1-[(3-methoxyphenyl)acetyl]piperidin-4-yl}-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C23 H26 N4 O3 |
| Smiles: | CN1C(N(C(C2CCN(CC2)C(Cc2cccc(c2)OC)=O)=N1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0925 |
| logD: | 3.0924 |
| logSw: | -3.2549 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.15 |
| InChI Key: | MNVLDFDKBAPFFY-UHFFFAOYSA-N |