8-chloro-6-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-chloro-6-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-chloro-6-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-2280 |
| Compound Name: | 8-chloro-6-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 361.87 |
| Molecular Formula: | C20 H24 Cl N O3 |
| Smiles: | CCC1CCCCN1Cc1c(c(cc2C3CCCC=3C(=O)Oc12)[Cl])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.684 |
| logD: | 3.8361 |
| logSw: | -4.6162 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.155 |
| InChI Key: | VCXSXTMYAMILCR-LBPRGKRZSA-N |