6-[(azepan-1-yl)methyl]-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
6-[(azepan-1-yl)methyl]-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
6-[(azepan-1-yl)methyl]-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | 3130-1467 |
| Compound Name: | 6-[(azepan-1-yl)methyl]-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 313.4 |
| Molecular Formula: | C19 H23 N O3 |
| Smiles: | C1CCCN(CC1)Cc1c(ccc2C3CCCC=3C(=O)Oc12)O |
| Stereo: | ACHIRAL |
| logP: | 3.4195 |
| logD: | 2.5084 |
| logSw: | -3.2515 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.743 |
| InChI Key: | WRPQVMBSNBWZRS-UHFFFAOYSA-N |