1-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)methyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)methyl]pyridin-1-ium--bromide (1/1)
1-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)methyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0349-0036 |
| Compound Name: | 1-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)methyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 394.27 |
| Molecular Formula: | C20 H16 N3 O |
| Salt: | Br- |
| Smiles: | C(C1=Nc2ccccc2C(N1c1ccccc1)=O)[n+]1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9294 |
| logD: | 1.9272 |
| logSw: | -2.8348 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 27.6583 |
| InChI Key: | VSAXFSLZSAFCMS-UHFFFAOYSA-N |