rel-(2R,7aS)-2-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-2-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-2-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0578 |
| Compound Name: | rel-(2R,7aS)-2-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 428.91 |
| Molecular Formula: | C23 H25 Cl N2 O4 |
| Smiles: | COc1ccccc1OCCNC([C@]1(C[C@@H]2CCC(N2C1)=O)c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0337 |
| logD: | 3.0337 |
| logSw: | -3.5816 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.903 |
| InChI Key: | KXANYWVNVCKEOK-QMHKHESXSA-N |