8-chloro-7-hydroxy-6-[(4-methylpiperidin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-chloro-7-hydroxy-6-[(4-methylpiperidin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-chloro-7-hydroxy-6-[(4-methylpiperidin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | D635-0040 |
| Compound Name: | 8-chloro-7-hydroxy-6-[(4-methylpiperidin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 347.84 |
| Molecular Formula: | C19 H22 Cl N O3 |
| Smiles: | CC1CCN(CC1)Cc1c(c(cc2C3CCCC=3C(=O)Oc12)[Cl])O |
| Stereo: | ACHIRAL |
| logP: | 4.3999 |
| logD: | 3.8729 |
| logSw: | -4.2923 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.343 |
| InChI Key: | MKNNUMWWIGUASK-UHFFFAOYSA-N |