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 |