{4-[(4-fluorophenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetonitrile
Chemical Structure Depiction of
{4-[(4-fluorophenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetonitrile
{4-[(4-fluorophenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetonitrile
Compound characteristics
| Compound ID: | F366-0156 |
| Compound Name: | {4-[(4-fluorophenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetonitrile |
| Molecular Weight: | 349.32 |
| Molecular Formula: | C18 H12 F N5 O2 |
| Smiles: | C(C#N)N1C(N2C(=N1)N(Cc1ccc(cc1)F)C(c1ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0787 |
| logD: | 2.0787 |
| logSw: | -2.8569 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 65.677 |
| InChI Key: | WQFDEKGMSUBMQM-UHFFFAOYSA-N |