rel-(3R,7aS)-2-(4-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(4-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(4-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0437 |
| Compound Name: | rel-(3R,7aS)-2-(4-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 386.88 |
| Molecular Formula: | C21 H23 Cl N2 O3 |
| Smiles: | CCOc1ccc(cc1OC)[C@H]1N(C([C@@H]2CCCN12)=O)c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6213 |
| logD: | 2.3269 |
| logSw: | -4.144 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.022 |
| InChI Key: | UHOVAMMKEIVKMS-PXNSSMCTSA-N |