rel-(3R,7aS)-2-(4-chlorophenyl)-3-(pyridin-3-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(4-chlorophenyl)-3-(pyridin-3-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(4-chlorophenyl)-3-(pyridin-3-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0454 |
| Compound Name: | rel-(3R,7aS)-2-(4-chlorophenyl)-3-(pyridin-3-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 313.78 |
| Molecular Formula: | C17 H16 Cl N3 O |
| Smiles: | C1C[C@H]2C(N(c3ccc(cc3)[Cl])[C@H](c3cccnc3)N2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4494 |
| logD: | 2.343 |
| logSw: | -2.7361 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.6991 |
| InChI Key: | UGGPGVHLNUJNLN-HOTGVXAUSA-N |