7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-benzylazepan-2-one
Chemical Structure Depiction of
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-benzylazepan-2-one
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-benzylazepan-2-one
Compound characteristics
| Compound ID: | S513-0584 |
| Compound Name: | 7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-benzylazepan-2-one |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C26 H31 N3 O4 |
| Smiles: | C1CCC(N(Cc2ccccc2)C(C1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.616 |
| logD: | 2.3397 |
| logSw: | -2.8989 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.284 |
| InChI Key: | IQZDPVRGJVHMEE-QFIPXVFZSA-N |