4-[(azepan-1-yl)methyl]-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-[(azepan-1-yl)methyl]-6-methoxy-2H-1-benzopyran-2-one
4-[(azepan-1-yl)methyl]-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D154-0436 |
| Compound Name: | 4-[(azepan-1-yl)methyl]-6-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 287.36 |
| Molecular Formula: | C17 H21 N O3 |
| Smiles: | COc1ccc2c(c1)C(CN1CCCCCC1)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.8292 |
| logD: | 2.3908 |
| logSw: | -3.3431 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.253 |
| InChI Key: | VRBKHIWRUNODHM-UHFFFAOYSA-N |