2-(4-methylphenoxy)-1-{4-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-methylphenoxy)-1-{4-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
2-(4-methylphenoxy)-1-{4-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S564-0078 |
| Compound Name: | 2-(4-methylphenoxy)-1-{4-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 328.41 |
| Molecular Formula: | C18 H24 N4 O2 |
| Smiles: | Cc1ccc(cc1)OCC(N1CCC(CC1)Cc1nnc(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.914 |
| logD: | 1.9086 |
| logSw: | -2.3522 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.247 |
| InChI Key: | ZMXHTANVYNAXDL-UHFFFAOYSA-N |