4-[(azepan-1-yl)methyl]-6-hydroxy-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-[(azepan-1-yl)methyl]-6-hydroxy-7-methyl-2H-1-benzopyran-2-one
4-[(azepan-1-yl)methyl]-6-hydroxy-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-3950 |
| Compound Name: | 4-[(azepan-1-yl)methyl]-6-hydroxy-7-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 287.36 |
| Molecular Formula: | C17 H21 N O3 |
| Smiles: | Cc1cc2c(cc1O)C(CN1CCCCCC1)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.6809 |
| logD: | 2.2425 |
| logSw: | -2.8347 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.257 |
| InChI Key: | JFHSZSQQVFUASK-UHFFFAOYSA-N |