4-[(azepan-1-yl)methyl]-5,7-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-[(azepan-1-yl)methyl]-5,7-dimethyl-2H-1-benzopyran-2-one
4-[(azepan-1-yl)methyl]-5,7-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0750 |
| Compound Name: | 4-[(azepan-1-yl)methyl]-5,7-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 285.38 |
| Molecular Formula: | C18 H23 N O2 |
| Smiles: | Cc1cc(C)c2C(CN3CCCCCC3)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7978 |
| logD: | 2.9219 |
| logSw: | -3.9806 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.7093 |
| InChI Key: | YYMAJFGRBBOZPM-UHFFFAOYSA-N |