3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-1-benzopyran-4-one
3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | D088-0062 |
| Compound Name: | 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4H-1-benzopyran-4-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C24 H28 N2 O4 |
| Smiles: | CC1=C(C(c2ccc(c(CN3CCN(C)CC3)c2O1)O)=O)Oc1cc(C)cc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7223 |
| logD: | 2.9234 |
| logSw: | -3.74 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.104 |
| InChI Key: | BCQJKPIVIXFJTO-UHFFFAOYSA-N |