9-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
9-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
9-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | D715-0683 |
| Compound Name: | 9-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 425.52 |
| Molecular Formula: | C25 H31 N O5 |
| Smiles: | CC(C(N1CCC2(CCCCC2C1)O)=O)Oc1cc(C)cc2c1C1CCCC=1C(=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7466 |
| logD: | 3.7466 |
| logSw: | -4.0833 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.843 |
| InChI Key: | WMFXLMDQUNVGID-UHFFFAOYSA-N |