2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
Compound ID: | K898-0247 |
Compound Name: | 2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
Molecular Weight: | 527.04 |
Molecular Formula: | C25 H27 Cl N6 O3 S |
Smiles: | Cc1ccc(cc1[Cl])N1C(c2c(C)n[nH]c2N=C1SCC(NCCc1ccc(c(c1)OC)OC)=O)=N |
Stereo: | ACHIRAL |
logP: | 2.9716 |
logD: | -1.0198 |
logSw: | -3.716 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 92.342 |
InChI Key: | DTFKIMGRUBJAHQ-UHFFFAOYSA-N |