8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2H-1-benzopyran-2-one
8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | G786-1955 |
| Compound Name: | 8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C24 H27 N O5 |
| Smiles: | COc1ccc(cc1OC)C1=Cc2ccc(c(CN3CCCCCC3)c2OC1=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.0448 |
| logD: | 3.6696 |
| logSw: | -4.0631 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.445 |
| InChI Key: | HCEQQRLTANCZFN-UHFFFAOYSA-N |