1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propan-1-one
Chemical Structure Depiction of
1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propan-1-one
1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propan-1-one
Compound characteristics
| Compound ID: | Y043-6224 |
| Compound Name: | 1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propan-1-one |
| Molecular Weight: | 358.5 |
| Molecular Formula: | C20 H26 N2 O2 S |
| Smiles: | C1CCC2(CCN(CC2C1)C(CC(c1ccsc1)n1cccc1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1622 |
| logD: | 3.1622 |
| logSw: | -3.1079 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.772 |
| InChI Key: | QHWXDGZRYGJATN-UHFFFAOYSA-N |