rel-(3R,7aS)-3-(2-nitrophenyl)-2-(1,3-thiazol-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-3-(2-nitrophenyl)-2-(1,3-thiazol-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-3-(2-nitrophenyl)-2-(1,3-thiazol-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0359 |
| Compound Name: | rel-(3R,7aS)-3-(2-nitrophenyl)-2-(1,3-thiazol-2-yl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 330.36 |
| Molecular Formula: | C15 H14 N4 O3 S |
| Smiles: | C1C[C@@H]2C(N(c3nccs3)[C@@H](c3ccccc3[N+]([O-])=O)N2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1119 |
| logD: | 1.74 |
| logSw: | -2.5151 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.514 |
| InChI Key: | LPQNJJQIOAATHU-STQMWFEESA-N |