5-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl}-2-methyl-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl}-2-methyl-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl}-2-methyl-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1103 |
| Compound Name: | 5-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl}-2-methyl-4-(2-phenylethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C26 H32 N4 O3 |
| Smiles: | CN1C(N(CCc2ccccc2)C(C2CCN(CC2)C(CCc2ccc(cc2)OC)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9791 |
| logD: | 3.9789 |
| logSw: | -4.0574 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.74 |
| InChI Key: | HUSNYBWWKKEYOD-UHFFFAOYSA-N |