({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile
Chemical Structure Depiction of
({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile
({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile
Compound characteristics
| Compound ID: | F458-0086 |
| Compound Name: | ({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetonitrile |
| Molecular Weight: | 365.39 |
| Molecular Formula: | C18 H12 F N5 O S |
| Smiles: | C(c1ccc(cc1)F)N1C(c2ccccc2n2c1nnc2SCC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5125 |
| logD: | 2.5125 |
| logSw: | -2.835 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.075 |
| InChI Key: | JROBPSZGNPUFDY-UHFFFAOYSA-N |