4-[(azepan-1-yl)methyl]-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-[(azepan-1-yl)methyl]-7-methyl-2H-1-benzopyran-2-one
4-[(azepan-1-yl)methyl]-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D154-0151 |
| Compound Name: | 4-[(azepan-1-yl)methyl]-7-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 271.36 |
| Molecular Formula: | C17 H21 N O2 |
| Smiles: | Cc1ccc2C(CN3CCCCCC3)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3256 |
| logD: | 2.7043 |
| logSw: | -3.6504 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.7093 |
| InChI Key: | MQHDJNYJZPAOFF-UHFFFAOYSA-N |