2-(3-methoxyphenyl)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(3-methoxyphenyl)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
2-(3-methoxyphenyl)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S564-0366 |
| Compound Name: | 2-(3-methoxyphenyl)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C23 H26 N4 O2 |
| Smiles: | COc1cccc(CC(N2CCC(CC2)Cc2nnc(c3ccccc3)[nH]2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7557 |
| logD: | 3.72 |
| logSw: | -4.2239 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.407 |
| InChI Key: | QQVINFCKVWQAGC-UHFFFAOYSA-N |