8-[(azepan-1-yl)methyl]-3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(azepan-1-yl)methyl]-3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
8-[(azepan-1-yl)methyl]-3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | D088-0059 |
| Compound Name: | 8-[(azepan-1-yl)methyl]-3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C25 H29 N O4 |
| Smiles: | CC1=C(C(c2ccc(c(CN3CCCCCC3)c2O1)O)=O)Oc1cc(C)cc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4119 |
| logD: | 4.5008 |
| logSw: | -5.0149 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.959 |
| InChI Key: | GHCQANLUGHWYGZ-UHFFFAOYSA-N |