{[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetonitrile
{[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetonitrile
Compound characteristics
Compound ID: | F458-0120 |
Compound Name: | {[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetonitrile |
Molecular Weight: | 361.42 |
Molecular Formula: | C19 H15 N5 O S |
Smiles: | C(CN1C(c2ccccc2n2c1nnc2SCC#N)=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 2.5825 |
logD: | 2.5825 |
logSw: | -3.3136 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 57.054 |
InChI Key: | LQOKJWHTWVKDNP-UHFFFAOYSA-N |