N-[(furan-2-yl)methyl]-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-[(furan-2-yl)methyl]-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-[(furan-2-yl)methyl]-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: | K898-0415 |
Compound Name: | N-[(furan-2-yl)methyl]-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
Molecular Weight: | 424.48 |
Molecular Formula: | C20 H20 N6 O3 S |
Smiles: | Cc1c2C(=N)N(C(=Nc2[nH]n1)SCC(NCc1ccco1)=O)c1cccc(c1)OC |
Stereo: | ACHIRAL |
logP: | 2.3395 |
logD: | -1.8053 |
logSw: | -2.7676 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 92.533 |
InChI Key: | ZNSZWCJQYJRLKG-UHFFFAOYSA-N |