3-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1(4H)-yl)propanenitrile
Chemical Structure Depiction of
3-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1(4H)-yl)propanenitrile
3-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1(4H)-yl)propanenitrile
Compound characteristics
| Compound ID: | D718-0858 |
| Compound Name: | 3-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1(4H)-yl)propanenitrile |
| Molecular Weight: | 280.33 |
| Molecular Formula: | C16 H16 N4 O |
| Smiles: | CCC1=C(C)N(CCC#N)c2nc3ccccc3n2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.2058 |
| logD: | 2.2058 |
| logSw: | -2.1968 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 43.481 |
| InChI Key: | CJOABUNFRPUBQS-UHFFFAOYSA-N |