3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[(pyrrolidin-1-yl)methyl]-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[(pyrrolidin-1-yl)methyl]-4H-1-benzopyran-4-one
3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[(pyrrolidin-1-yl)methyl]-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | D088-0012 |
| Compound Name: | 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[(pyrrolidin-1-yl)methyl]-4H-1-benzopyran-4-one |
| Molecular Weight: | 379.45 |
| Molecular Formula: | C23 H25 N O4 |
| Smiles: | CC1=C(C(c2ccc(c(CN3CCCC3)c2O1)O)=O)Oc1cc(C)cc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5358 |
| logD: | 3.1985 |
| logSw: | -4.0465 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.994 |
| InChI Key: | KDPCEMWCRNFGMP-UHFFFAOYSA-N |