rel-(6R,7aS)-6-(2-chlorophenyl)-6-(6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carbonyl)hexahydro-3H-pyrrolizin-3-one
Chemical Structure Depiction of
rel-(6R,7aS)-6-(2-chlorophenyl)-6-(6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carbonyl)hexahydro-3H-pyrrolizin-3-one
rel-(6R,7aS)-6-(2-chlorophenyl)-6-(6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carbonyl)hexahydro-3H-pyrrolizin-3-one
Compound characteristics
| Compound ID: | SC91-0522 |
| Compound Name: | rel-(6R,7aS)-6-(2-chlorophenyl)-6-(6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carbonyl)hexahydro-3H-pyrrolizin-3-one |
| Molecular Weight: | 400.93 |
| Molecular Formula: | C21 H21 Cl N2 O2 S |
| Smiles: | C1C[C@H]2C[C@@](CN2C1=O)(C(N1CCc2c(C1)ccs2)=O)c1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1495 |
| logD: | 3.1495 |
| logSw: | -3.7506 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.842 |
| InChI Key: | YBDBRLVPHQXMBW-YCRPNKLZSA-N |