1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(4-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(4-methoxyphenyl)propan-1-one
1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(4-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | S564-0554 |
| Compound Name: | 1-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(4-methoxyphenyl)propan-1-one |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C21 H28 N4 O2 |
| Smiles: | COc1ccc(CCC(N2CCC(CC2)Cc2nnc(C3CC3)[nH]2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9413 |
| logD: | 2.9378 |
| logSw: | -3.3099 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.93 |
| InChI Key: | ZOSKGMJYDRCAQI-UHFFFAOYSA-N |