N-benzyl-2-{[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-benzyl-2-{[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | K898-0793 |
Compound Name: | N-benzyl-2-{[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
Molecular Weight: | 452.96 |
Molecular Formula: | C22 H21 Cl N6 O S |
Smiles: | Cc1c(cccc1[Cl])N1C(c2c(C)n[nH]c2N=C1SCC(NCc1ccccc1)=O)=N |
Stereo: | ACHIRAL |
logP: | 3.5338 |
logD: | -0.5306 |
logSw: | -4.1856 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 76.939 |
InChI Key: | SKMMAIGGCZEYSR-UHFFFAOYSA-N |