rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(pyridin-4-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(pyridin-4-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(pyridin-4-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0140 |
| Compound Name: | rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(pyridin-4-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 348.23 |
| Molecular Formula: | C17 H15 Cl2 N3 O |
| Smiles: | C1C[C@H]2C(N(c3ccc(c(c3)[Cl])[Cl])[C@H](c3ccncc3)N2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2452 |
| logD: | 3.2323 |
| logSw: | -3.4378 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.6094 |
| InChI Key: | DYCDZHBMUFVLST-HOTGVXAUSA-N |