rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(2-nitrophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(2-nitrophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(2-nitrophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0125 |
| Compound Name: | rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(2-nitrophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 392.24 |
| Molecular Formula: | C18 H15 Cl2 N3 O3 |
| Smiles: | C1C[C@@H]2C(N(c3ccc(c(c3)[Cl])[Cl])[C@@H](c3ccccc3[N+]([O-])=O)N2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.191 |
| logD: | 4.153 |
| logSw: | -4.4192 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.262 |
| InChI Key: | RVDJBJBRBYPKSQ-IRXDYDNUSA-N |