3-{2-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-7,8-dihydroxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{2-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-7,8-dihydroxy-4-methyl-2H-1-benzopyran-2-one
3-{2-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-7,8-dihydroxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-5047 |
| Compound Name: | 3-{2-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-7,8-dihydroxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 480.47 |
| Molecular Formula: | C25 H24 N2 O8 |
| Smiles: | CC1=C(CC(N2CCN(CC2)C(C2COc3ccccc3O2)=O)=O)C(=O)Oc2c1ccc(c2O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0845 |
| logD: | 2.0227 |
| logSw: | -2.8925 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.886 |
| InChI Key: | GULVEVUQDYPBJP-FQEVSTJZSA-N |