2-(3,4-dihydropyrimido[1,2-a]benzimidazol-10(2H)-yl)-1-(3-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
2-(3,4-dihydropyrimido[1,2-a]benzimidazol-10(2H)-yl)-1-(3-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
2-(3,4-dihydropyrimido[1,2-a]benzimidazol-10(2H)-yl)-1-(3-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 2226-0470 |
| Compound Name: | 2-(3,4-dihydropyrimido[1,2-a]benzimidazol-10(2H)-yl)-1-(3-nitrophenyl)ethan-1-one--hydrogen bromide (1/1) |
| Molecular Weight: | 417.26 |
| Molecular Formula: | C18 H16 N4 O3 |
| Salt: | HBr |
| Smiles: | C1CN=C2N(C1)c1ccccc1N2CC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2458 |
| logD: | -0.848 |
| logSw: | -3.6242 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.114 |
| InChI Key: | YEAXYQFWOFWFNO-UHFFFAOYSA-N |