N-[(furan-2-yl)methyl]-2-{[4-imino-5-(4-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-(4-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-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-1262 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-{[4-imino-5-(4-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)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.158 |
| logD: | -2.1106 |
| logSw: | -2.5228 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.533 |
| InChI Key: | DDMNKEOKWNBHLG-UHFFFAOYSA-N |