[(8-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetonitrile
Chemical Structure Depiction of
[(8-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetonitrile
[(8-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetonitrile
Compound characteristics
| Compound ID: | F458-0338 |
| Compound Name: | [(8-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetonitrile |
| Molecular Weight: | 333.8 |
| Molecular Formula: | C14 H12 Cl N5 O S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCC#N)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4715 |
| logD: | 2.4715 |
| logSw: | -3.249 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.325 |
| InChI Key: | VAHWWLGUHOVFGB-UHFFFAOYSA-N |