5-{[(2-chlorophenyl)methyl]sulfanyl}-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
5-{[(2-chlorophenyl)methyl]sulfanyl}-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-c]quinazoline
5-{[(2-chlorophenyl)methyl]sulfanyl}-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
Compound ID: | D718-1062 |
Compound Name: | 5-{[(2-chlorophenyl)methyl]sulfanyl}-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-c]quinazoline |
Molecular Weight: | 403.89 |
Molecular Formula: | C21 H14 Cl N5 S |
Smiles: | C(c1ccccc1[Cl])Sc1nc2ccccc2c2nc(c3cccnc3)nn12 |
Stereo: | ACHIRAL |
logP: | 4.9164 |
logD: | 4.4843 |
logSw: | -5.2578 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 39.315 |
InChI Key: | WALYAQRNPQKWTA-UHFFFAOYSA-N |