rel-(3R,7aS)-3-(4-bromophenyl)-2-(3-chlorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-3-(4-bromophenyl)-2-(3-chlorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-3-(4-bromophenyl)-2-(3-chlorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0291 |
| Compound Name: | rel-(3R,7aS)-3-(4-bromophenyl)-2-(3-chlorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 391.69 |
| Molecular Formula: | C18 H16 Br Cl N2 O |
| Smiles: | C1C[C@H]2C(N(c3cccc(c3)[Cl])[C@H](c3ccc(cc3)[Br])N2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5374 |
| logD: | 4.4892 |
| logSw: | -4.8157 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 19.1812 |
| InChI Key: | XVKGMUBXPCDERW-IRXDYDNUSA-N |