rel-(3R,7aS)-3-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-3-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-3-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0385 |
| Compound Name: | rel-(3R,7aS)-3-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C20 H21 F N2 O3 |
| Smiles: | COc1ccc(cc1OC)[C@H]1N(C([C@@H]2CCCN12)=O)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7101 |
| logD: | 1.4157 |
| logSw: | -2.9838 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.442 |
| InChI Key: | SZAFNNSGDHBWKJ-LPHOPBHVSA-N |