2-cyclopentyl-1-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-cyclopentyl-1-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
2-cyclopentyl-1-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S517-0240 |
| Compound Name: | 2-cyclopentyl-1-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 352.48 |
| Molecular Formula: | C21 H28 N4 O |
| Smiles: | C1CCC(C1)CC(N1CCC(CC1)Cc1nncn1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2469 |
| logD: | 3.2467 |
| logSw: | -3.3025 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.437 |
| InChI Key: | DLYMADKLIWKDBJ-UHFFFAOYSA-N |