rel-(3R,7aS)-2-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0325 |
| Compound Name: | rel-(3R,7aS)-2-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 402.88 |
| Molecular Formula: | C21 H23 Cl N2 O4 |
| Smiles: | COc1cc(cc(c1OC)OC)[C@H]1N(C([C@@H]2CCCN12)=O)c1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4029 |
| logD: | 1.2348 |
| logSw: | -3.7027 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.159 |
| InChI Key: | ZSAVADPVHRAKJN-JXFKEZNVSA-N |