8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | G786-1956 |
| Compound Name: | 8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C25 H29 N O5 |
| Smiles: | CC1=C(C(=O)Oc2c1ccc(c2CN1CCCCCC1)O)c1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4483 |
| logD: | 3.5372 |
| logSw: | -4.0698 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.445 |
| InChI Key: | YRJDRQQMQXYMGW-UHFFFAOYSA-N |