2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
Compound ID: | G873-0246 |
Compound Name: | 2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
Molecular Weight: | 435.5 |
Molecular Formula: | C22 H21 N5 O3 S |
Smiles: | Cc1ccc(CNC(CSC2NC(c3cnn(c4ccccc4OC)c3N=2)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.017 |
logD: | 2.954 |
logSw: | -3.5057 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.253 |
InChI Key: | STJHLNIMTHCJNZ-UHFFFAOYSA-N |