N-(3-chloro-4-methylphenyl)-2-{[5-(2-ethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[5-(2-ethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(3-chloro-4-methylphenyl)-2-{[5-(2-ethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | K781-5655 |
Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[5-(2-ethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
Molecular Weight: | 453.95 |
Molecular Formula: | C22 H20 Cl N5 O2 S |
Smiles: | CCc1ccccc1N1C(=Nc2c(cn[nH]2)C1=O)SCC(Nc1ccc(C)c(c1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.7957 |
logD: | 4.7944 |
logSw: | -4.8148 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.275 |
InChI Key: | YMJPVCHFJOQDCG-UHFFFAOYSA-N |