1-(azepan-1-yl)-3-[3-({4-[(3,4-dimethoxyphenyl)acetyl]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-[(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]propan-1-one--hydrogen chloride (1/1)
1-(azepan-1-yl)-3-[3-({4-[(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0685 |
| Compound Name: | 1-(azepan-1-yl)-3-[3-({4-[(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl}methyl)-1,2,4-oxadiazol-5-yl]propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 536.07 |
| Molecular Formula: | C26 H37 N5 O5 |
| Salt: | HCl |
| Smiles: | COc1ccc(CC(N2CCN(CC2)Cc2nc(CCC(N3CCCCCC3)=O)on2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.6658 |
| logD: | 1.665 |
| logSw: | -2.1772 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.218 |
| InChI Key: | FQMSSOAAJVTUFF-UHFFFAOYSA-N |