rel-(3R,7aS)-3-(2-ethoxyphenyl)-2-(4-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-3-(2-ethoxyphenyl)-2-(4-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-3-(2-ethoxyphenyl)-2-(4-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0083 |
| Compound Name: | rel-(3R,7aS)-3-(2-ethoxyphenyl)-2-(4-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C21 H24 N2 O3 |
| Smiles: | CCOc1ccccc1[C@H]1N(C([C@@H]2CCCN12)=O)c1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5431 |
| logD: | 2.6555 |
| logSw: | -3.5172 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.935 |
| InChI Key: | OZMYKLSIWONMIE-UYAOXDASSA-N |