1-benzyl-3-{2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}azepan-2-one
Chemical Structure Depiction of
1-benzyl-3-{2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}azepan-2-one
1-benzyl-3-{2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}azepan-2-one
Compound characteristics
| Compound ID: | S581-1043 |
| Compound Name: | 1-benzyl-3-{2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}azepan-2-one |
| Molecular Weight: | 419.57 |
| Molecular Formula: | C26 H33 N3 O2 |
| Smiles: | Cc1ccc(cc1)N1CCN(CC1)C(CC1CCCCN(Cc2ccccc2)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8172 |
| logD: | 3.8169 |
| logSw: | -3.7821 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.569 |
| InChI Key: | SKEKMEQITFLAGL-HSZRJFAPSA-N |