6-[(azepan-1-yl)methyl]-7-hydroxy-3,4,8-trimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-[(azepan-1-yl)methyl]-7-hydroxy-3,4,8-trimethyl-2H-1-benzopyran-2-one
6-[(azepan-1-yl)methyl]-7-hydroxy-3,4,8-trimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-3557 |
| Compound Name: | 6-[(azepan-1-yl)methyl]-7-hydroxy-3,4,8-trimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 315.41 |
| Molecular Formula: | C19 H25 N O3 |
| Smiles: | CC1=C(C)c2cc(CN3CCCCCC3)c(c(C)c2OC1=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.1759 |
| logD: | 2.4829 |
| logSw: | -4.0531 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.387 |
| InChI Key: | YXEMXTOIFXHZOM-UHFFFAOYSA-N |