2-phenyl-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-phenyl-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
2-phenyl-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S564-0454 |
| Compound Name: | 2-phenyl-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 360.46 |
| Molecular Formula: | C22 H24 N4 O |
| Smiles: | C1CN(CCC1Cc1nnc(c2ccccc2)[nH]1)C(Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6548 |
| logD: | 3.6191 |
| logSw: | -3.9254 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.863 |
| InChI Key: | ZMNLNGWUBTYPSA-UHFFFAOYSA-N |