(4-{[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}phenyl)(phenyl)methanone
Chemical Structure Depiction of
(4-{[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}phenyl)(phenyl)methanone
(4-{[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}phenyl)(phenyl)methanone
Compound characteristics
Compound ID: | 5069-0729 |
Compound Name: | (4-{[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}phenyl)(phenyl)methanone |
Molecular Weight: | 374.46 |
Molecular Formula: | C21 H18 N4 O S |
Smiles: | Cc1cc(C)n2c(nnc2n1)SCc1ccc(cc1)C(c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 3.3122 |
logD: | 3.3122 |
logSw: | -3.5569 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 45.12 |
InChI Key: | GWHMRPRMYRJABK-UHFFFAOYSA-N |