9-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
9-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
9-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | D715-0696 |
| Compound Name: | 9-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C24 H29 N O5 |
| Smiles: | Cc1cc(c2C3CCCC=3C(=O)Oc2c1)OCC(N1CCC2(CCCCC2C1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0381 |
| logD: | 3.0381 |
| logSw: | -2.8691 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.025 |
| InChI Key: | KDUJSSHYNJDDIY-UHFFFAOYSA-N |