4-phenyl-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)butan-1-one
Chemical Structure Depiction of
4-phenyl-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)butan-1-one
4-phenyl-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | S564-0731 |
| Compound Name: | 4-phenyl-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)butan-1-one |
| Molecular Weight: | 389.5 |
| Molecular Formula: | C23 H27 N5 O |
| Smiles: | C(CC(N1CCC(CC1)Cc1nnc(c2ccncc2)[nH]1)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4006 |
| logD: | 3.3773 |
| logSw: | -3.4986 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.291 |
| InChI Key: | NRIMAGUMSARCMB-UHFFFAOYSA-N |