4-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}benzonitrile
Chemical Structure Depiction of
4-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}benzonitrile
4-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}benzonitrile
Compound characteristics
| Compound ID: | E143-0141 |
| Compound Name: | 4-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}benzonitrile |
| Molecular Weight: | 395.39 |
| Molecular Formula: | C23 H14 F N5 O |
| Smiles: | C(c1ccc(cc1)F)N1C(c2ccccc2n2c(c3ccc(C#N)cc3)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8143 |
| logD: | 3.8143 |
| logSw: | -4.2521 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.786 |
| InChI Key: | ZCGXWJRZAORZHT-UHFFFAOYSA-N |