3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-6-bromo-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-6-bromo-8-methoxy-2H-1-benzopyran-2-one
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-6-bromo-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8016-8225 |
| Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-6-bromo-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 501.33 |
| Molecular Formula: | C23 H21 Br N2 O6 |
| Smiles: | COc1cc(cc2C=C(C(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)C(=O)Oc12)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.1702 |
| logD: | 2.9279 |
| logSw: | -3.383 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.779 |
| InChI Key: | WPFPOPVRVKUKBS-UHFFFAOYSA-N |