rel-(3R,7aS)-3-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-3-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-3-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0057 |
| Compound Name: | rel-(3R,7aS)-3-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C22 H26 N2 O4 |
| Smiles: | CCOc1ccc(cc1OC)[C@H]1N(C([C@@H]2CCCN12)=O)c1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.009 |
| logD: | 1.7146 |
| logSw: | -3.1387 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.566 |
| InChI Key: | OIPFTRUULNOEHH-WIYYLYMNSA-N |