8-[(azepan-1-yl)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-[(azepan-1-yl)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
8-[(azepan-1-yl)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 3643-2465 |
| Compound Name: | 8-[(azepan-1-yl)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 287.36 |
| Molecular Formula: | C17 H21 N O3 |
| Smiles: | CC1=CC(=O)Oc2c1ccc(c2CN1CCCCCC1)O |
| Stereo: | ACHIRAL |
| logP: | 3.079 |
| logD: | 2.1679 |
| logSw: | -3.1428 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.942 |
| InChI Key: | GHHWCYNTZXUIFZ-UHFFFAOYSA-N |