6-chloro-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-3,4-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-3,4-dimethyl-2H-1-benzopyran-2-one
6-chloro-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-3,4-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-5252 |
| Compound Name: | 6-chloro-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-3,4-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 419.9 |
| Molecular Formula: | C22 H26 Cl N O5 |
| Smiles: | CC1=C(C)c2cc(c(cc2OC1=O)OCC(N1CCC2(CCCCC2C1)O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5192 |
| logD: | 3.5192 |
| logSw: | -3.7574 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.739 |
| InChI Key: | MOLYWOIAOTWOFS-UHFFFAOYSA-N |