2-{[5-(2-chlorophenyl)-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-(2-chlorophenyl)-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-(2-chlorophenyl)-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: | K898-1489 |
Compound Name: | 2-{[5-(2-chlorophenyl)-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: | 430.96 |
Molecular Formula: | C20 H23 Cl N6 O S |
Smiles: | CC1CCN(CC1)C(CSC1=Nc2c(C(=N)N1c1ccccc1[Cl])c(C)n[nH]2)=O |
Stereo: | ACHIRAL |
logP: | 2.8253 |
logD: | -1.1618 |
logSw: | -3.7487 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.86 |
InChI Key: | DALGOETUBSALDO-UHFFFAOYSA-N |