rel-(3R,7aS)-2-(pyridin-2-yl)-3-(3,4,5-trimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(pyridin-2-yl)-3-(3,4,5-trimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(pyridin-2-yl)-3-(3,4,5-trimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0186 |
| Compound Name: | rel-(3R,7aS)-2-(pyridin-2-yl)-3-(3,4,5-trimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C20 H23 N3 O4 |
| Smiles: | COc1cc(cc(c1OC)OC)[C@H]1N(C([C@@H]2CCCN12)=O)c1ccccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2223 |
| logD: | -0.8998 |
| logSw: | -2.7532 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.67 |
| InChI Key: | BMMQOXDONANCRK-AUUYWEPGSA-N |