7,8-dihydroxy-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7,8-dihydroxy-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-2H-1-benzopyran-2-one
7,8-dihydroxy-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-3638 |
| Compound Name: | 7,8-dihydroxy-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 424.45 |
| Molecular Formula: | C23 H24 N2 O6 |
| Smiles: | CC1=C(CC(N2CCN(CC2)c2ccc(cc2)OC)=O)C(=O)Oc2c1ccc(c2O)O |
| Stereo: | ACHIRAL |
| logP: | 2.8966 |
| logD: | 2.8348 |
| logSw: | -3.0526 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.797 |
| InChI Key: | IKOJJVPOCHGCJQ-UHFFFAOYSA-N |