7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-7-methylazepan-2-one
Chemical Structure Depiction of
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-7-methylazepan-2-one
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-7-methylazepan-2-one
Compound characteristics
| Compound ID: | S515-0182 |
| Compound Name: | 7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-7-methylazepan-2-one |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C20 H27 N3 O4 |
| Smiles: | CC1(CCCCC(N1)=O)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1291 |
| logD: | 0.744 |
| logSw: | -2.2778 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.31 |
| InChI Key: | CGFFYQILTOIDDE-FQEVSTJZSA-N |