rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0224 |
| Compound Name: | rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 402.88 |
| Molecular Formula: | C21 H23 Cl N2 O4 |
| Smiles: | COc1ccc(c(c1)OC)[C@H]1N(C([C@@H]2CCCN12)=O)c1cc(ccc1OC)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5753 |
| logD: | 2.9696 |
| logSw: | -3.9 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.685 |
| InChI Key: | LTMBNUJBWYAUOK-JXFKEZNVSA-N |