N-{4-[4-({5-[3-(azepan-1-yl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl}methyl)piperazine-1-carbonyl]phenyl}acetamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-{4-[4-({5-[3-(azepan-1-yl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl}methyl)piperazine-1-carbonyl]phenyl}acetamide--hydrogen chloride (1/1)
N-{4-[4-({5-[3-(azepan-1-yl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl}methyl)piperazine-1-carbonyl]phenyl}acetamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0675 |
| Compound Name: | N-{4-[4-({5-[3-(azepan-1-yl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl}methyl)piperazine-1-carbonyl]phenyl}acetamide--hydrogen chloride (1/1) |
| Molecular Weight: | 519.04 |
| Molecular Formula: | C25 H34 N6 O4 |
| Salt: | HCl |
| Smiles: | CC(Nc1ccc(cc1)C(N1CCN(CC1)Cc1nc(CCC(N2CCCCCC2)=O)on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9691 |
| logD: | 0.9685 |
| logSw: | -2.0177 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.746 |
| InChI Key: | LMKIKRVAEJCVBF-UHFFFAOYSA-N |