N-cyclohexyl-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-cyclohexyl-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-cyclohexyl-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | K898-0419 |
Compound Name: | N-cyclohexyl-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
Molecular Weight: | 426.54 |
Molecular Formula: | C21 H26 N6 O2 S |
Smiles: | Cc1c2C(=N)N(C(=Nc2[nH]n1)SCC(NC1CCCCC1)=O)c1cccc(c1)OC |
Stereo: | ACHIRAL |
logP: | 2.8034 |
logD: | -1.3413 |
logSw: | -3.2817 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 84.509 |
InChI Key: | CCDYRFLDVYKHSO-UHFFFAOYSA-N |