7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-7-benzylazepan-2-one
Chemical Structure Depiction of
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-7-benzylazepan-2-one
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-7-benzylazepan-2-one
Compound characteristics
| Compound ID: | S515-0597 |
| Compound Name: | 7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-7-benzylazepan-2-one |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C26 H31 N3 O4 |
| Smiles: | C1CCC(Cc2ccccc2)(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)NC(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5369 |
| logD: | 2.1519 |
| logSw: | -3.0236 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.646 |
| InChI Key: | ORTSOJYRTASYKY-AREMUKBSSA-N |