5-(4-methylphenyl)-3-{[(pyridin-3-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
5-(4-methylphenyl)-3-{[(pyridin-3-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-c]quinazoline
5-(4-methylphenyl)-3-{[(pyridin-3-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
Compound ID: | J084-0813 |
Compound Name: | 5-(4-methylphenyl)-3-{[(pyridin-3-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-c]quinazoline |
Molecular Weight: | 383.47 |
Molecular Formula: | C22 H17 N5 S |
Smiles: | Cc1ccc(cc1)c1nc2ccccc2c2nnc(n12)SCc1cccnc1 |
Stereo: | ACHIRAL |
logP: | 4.5961 |
logD: | 4.4835 |
logSw: | -4.205 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 39.828 |
InChI Key: | MDWDAQFAEAQAKU-UHFFFAOYSA-N |