rel-(3R,7aS)-3-(5-bromo-2-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-3-(5-bromo-2-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-3-(5-bromo-2-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0206 |
| Compound Name: | rel-(3R,7aS)-3-(5-bromo-2-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 451.75 |
| Molecular Formula: | C20 H20 Br Cl N2 O3 |
| Smiles: | COc1ccc(cc1[C@H]1N(C([C@@H]2CCCN12)=O)c1cc(ccc1OC)[Cl])[Br] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.4046 |
| logD: | 3.5894 |
| logSw: | -4.5928 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.141 |
| InChI Key: | PRTLTAAWFJORCC-KXBFYZLASA-N |