{[4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetonitrile
{[4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | F458-0018 |
| Compound Name: | {[4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 313.38 |
| Molecular Formula: | C15 H15 N5 O S |
| Smiles: | CC(C)CN1C(c2ccccc2n2c1nnc2SCC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1227 |
| logD: | 2.1227 |
| logSw: | -2.7889 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.347 |
| InChI Key: | PWIVIMSSMAHUBH-UHFFFAOYSA-N |