2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | K898-1278 |
| Compound Name: | 2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 448.55 |
| Molecular Formula: | C23 H24 N6 O2 S |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3c(C(=N)N2c2ccc(cc2)OC)c(C)n[nH]3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8307 |
| logD: | -1.4379 |
| logSw: | -3.373 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.784 |
| InChI Key: | CUFDHRDAXLEUBS-UHFFFAOYSA-N |