3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-1H-2-benzopyran-1-one
Chemical Structure Depiction of
3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-1H-2-benzopyran-1-one
3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-1H-2-benzopyran-1-one
Compound characteristics
| Compound ID: | Y042-9060 |
| Compound Name: | 3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-1H-2-benzopyran-1-one |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C28 H24 N2 O5 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1ccccc1C1=Cc2ccccc2C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7728 |
| logD: | 3.5812 |
| logSw: | -4.0252 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.678 |
| InChI Key: | BORACOGKFIYOJJ-UHFFFAOYSA-N |