2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-methylphenyl)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-(4-methylphenyl)acetamide
2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Compound characteristics
Compound ID: | K898-1177 |
Compound Name: | 2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-methylphenyl)acetamide |
Molecular Weight: | 438.94 |
Molecular Formula: | C21 H19 Cl N6 O S |
Smiles: | Cc1ccc(cc1)NC(CSC1=Nc2c(C(=N)N1c1cccc(c1)[Cl])c(C)n[nH]2)=O |
Stereo: | ACHIRAL |
logP: | 3.8065 |
logD: | -0.1848 |
logSw: | -4.4924 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 75.918 |
InChI Key: | PBJRZRYNSIKOCM-UHFFFAOYSA-N |