3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8010-5439 |
| Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 428.87 |
| Molecular Formula: | C22 H20 N2 O5 |
| Salt: | HCl |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2755 |
| logD: | 2.0332 |
| logSw: | -2.9161 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.464 |
| InChI Key: | MHFRFCSVPGHFPJ-UHFFFAOYSA-N |