2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
Compound characteristics
Compound ID: | K898-1193 |
Compound Name: | 2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide |
Molecular Weight: | 484.96 |
Molecular Formula: | C22 H21 Cl N6 O3 S |
Smiles: | Cc1c2C(=N)N(C(=Nc2[nH]n1)SCC(Nc1cc(ccc1OC)OC)=O)c1cccc(c1)[Cl] |
Stereo: | ACHIRAL |
logP: | 3.0666 |
logD: | -0.9248 |
logSw: | -3.8731 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 90.394 |
InChI Key: | DPEWYOJBEKWMOD-UHFFFAOYSA-N |