rel-(3R,7aS)-3-(2,4-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-3-(2,4-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-3-(2,4-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0364 |
| Compound Name: | rel-(3R,7aS)-3-(2,4-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 345.42 |
| Molecular Formula: | C17 H19 N3 O3 S |
| Smiles: | COc1ccc(c(c1)OC)[C@H]1N(C([C@@H]2CCCN12)=O)c1nccs1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3793 |
| logD: | 1.785 |
| logSw: | -2.8162 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.608 |
| InChI Key: | XUGWBDWHOZDHQS-ZFWWWQNUSA-N |