rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0231 |
| Compound Name: | rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 432.9 |
| Molecular Formula: | C22 H25 Cl N2 O5 |
| Smiles: | COc1ccc(cc1N1C([C@@H]2CCCN2[C@H]1c1cc(c(c(c1)OC)OC)OC)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2192 |
| logD: | -0.132 |
| logSw: | -3.5055 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.489 |
| InChI Key: | PDMVUANBLVBFET-BTYIYWSLSA-N |