3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-{[methyl(1-methylpiperidin-4-yl)amino]methyl}-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-{[methyl(1-methylpiperidin-4-yl)amino]methyl}-4H-1-benzopyran-4-one
3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-{[methyl(1-methylpiperidin-4-yl)amino]methyl}-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | D088-0160 |
| Compound Name: | 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-{[methyl(1-methylpiperidin-4-yl)amino]methyl}-4H-1-benzopyran-4-one |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C26 H32 N2 O4 |
| Smiles: | CC1=C(C(c2ccc(c(CN(C)C3CCN(C)CC3)c2O1)O)=O)Oc1cc(C)cc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1716 |
| logD: | 2.7255 |
| logSw: | -3.9993 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.16 |
| InChI Key: | RYSMRDXTZKSFEY-UHFFFAOYSA-N |