[(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetonitrile
Chemical Structure Depiction of
[(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetonitrile
[(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetonitrile
Compound characteristics
| Compound ID: | F458-0069 |
| Compound Name: | [(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetonitrile |
| Molecular Weight: | 347.4 |
| Molecular Formula: | C18 H13 N5 O S |
| Smiles: | C(c1ccccc1)N1C(c2ccccc2n2c1nnc2SCC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4834 |
| logD: | 2.4834 |
| logSw: | -2.9781 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.075 |
| InChI Key: | VWPLLDQMAXZADU-UHFFFAOYSA-N |