1-{4-[(5-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(3-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-{4-[(5-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(3-methoxyphenyl)propan-1-one
1-{4-[(5-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(3-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | S564-0250 |
| Compound Name: | 1-{4-[(5-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(3-methoxyphenyl)propan-1-one |
| Molecular Weight: | 356.47 |
| Molecular Formula: | C20 H28 N4 O2 |
| Smiles: | CCc1nnc(CC2CCN(CC2)C(CCc2cccc(c2)OC)=O)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.8088 |
| logD: | 2.8019 |
| logSw: | -3.2662 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.669 |
| InChI Key: | ROVPCPYSCNTGJC-UHFFFAOYSA-N |