1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(4-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(4-methoxyphenyl)propan-1-one
1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(4-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | S517-0902 |
| Compound Name: | 1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-3-(4-methoxyphenyl)propan-1-one |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C25 H30 N4 O2 |
| Smiles: | COc1ccc(CCC(N2CCC(CC2)Cc2nncn2Cc2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4948 |
| logD: | 3.4947 |
| logSw: | -3.6049 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.964 |
| InChI Key: | NJHPNOCJJCQECL-UHFFFAOYSA-N |