rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(thiophen-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(thiophen-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(thiophen-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0236 |
| Compound Name: | rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(thiophen-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 348.85 |
| Molecular Formula: | C17 H17 Cl N2 O2 S |
| Smiles: | COc1ccc(cc1N1C([C@@H]2CCCN2[C@H]1c1cccs1)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1135 |
| logD: | 3.0868 |
| logSw: | -3.3666 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.5291 |
| InChI Key: | SUDHSQAIROKIPE-WBMJQRKESA-N |