2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
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}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | K898-0257 |
| Compound Name: | 2-{[5-(3-chloro-4-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 444.98 |
| Molecular Formula: | C21 H25 Cl N6 O S |
| Smiles: | CC1CCN(CC1)C(CSC1=Nc2c(C(=N)N1c1ccc(C)c(c1)[Cl])c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5917 |
| logD: | -0.3997 |
| logSw: | -4.2338 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.161 |
| InChI Key: | TZKAPBFQYHRLCN-UHFFFAOYSA-N |