rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(2,5-dimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(2,5-dimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(2,5-dimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0143 |
| Compound Name: | rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(2,5-dimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 407.29 |
| Molecular Formula: | C20 H20 Cl2 N2 O3 |
| Smiles: | COc1ccc(c(c1)[C@H]1N(C([C@@H]2CCCN12)=O)c1ccc(c(c1)[Cl])[Cl])OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.553 |
| logD: | 3.5079 |
| logSw: | -4.6483 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.355 |
| InChI Key: | DXSDDDLDFOLXAQ-HKUYNNGSSA-N |