4-[(azepan-1-yl)methyl]-7-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-[(azepan-1-yl)methyl]-7-methoxy-2H-1-benzopyran-2-one
4-[(azepan-1-yl)methyl]-7-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8020-1178 |
| Compound Name: | 4-[(azepan-1-yl)methyl]-7-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 287.36 |
| Molecular Formula: | C17 H21 N O3 |
| Smiles: | COc1ccc2C(CN3CCCCCC3)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 2.7801 |
| logD: | 2.1588 |
| logSw: | -3.3078 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.253 |
| InChI Key: | IQDBRQIFFRQXAN-UHFFFAOYSA-N |