1-(azepan-1-yl)-3-{3-[(4-{4-[(piperidin-1-yl)methyl]benzoyl}piperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl}propan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-(azepan-1-yl)-3-{3-[(4-{4-[(piperidin-1-yl)methyl]benzoyl}piperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl}propan-1-one--hydrogen chloride (1/1)
1-(azepan-1-yl)-3-{3-[(4-{4-[(piperidin-1-yl)methyl]benzoyl}piperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl}propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0689 |
| Compound Name: | 1-(azepan-1-yl)-3-{3-[(4-{4-[(piperidin-1-yl)methyl]benzoyl}piperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl}propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 559.15 |
| Molecular Formula: | C29 H42 N6 O3 |
| Salt: | HCl |
| Smiles: | C1CCCN(CC1)C(CCc1nc(CN2CCN(CC2)C(c2ccc(CN3CCCCC3)cc2)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2168 |
| logD: | 0.7658 |
| logSw: | -2.4804 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.217 |
| InChI Key: | ACWPMKBZDPHQJD-UHFFFAOYSA-N |