rel-(3R,7aS)-3-(5-bromo-2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-3-(5-bromo-2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-3-(5-bromo-2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0491 |
| Compound Name: | rel-(3R,7aS)-3-(5-bromo-2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 392.25 |
| Molecular Formula: | C17 H18 Br N3 O3 |
| Smiles: | Cc1cc(no1)N1C([C@@H]2CCCN2[C@H]1c1cc(ccc1OC)[Br])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5352 |
| logD: | 1.591 |
| logSw: | -3.4868 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.503 |
| InChI Key: | OVSYNDOJALLQFI-BBRMVZONSA-N |