2-{[4-imino-3-methyl-5-(3-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-imino-3-methyl-5-(3-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[4-imino-3-methyl-5-(3-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | K898-1124 |
| Compound Name: | 2-{[4-imino-3-methyl-5-(3-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 432.55 |
| Molecular Formula: | C23 H24 N6 O S |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3c(C(=N)N2c2cccc(C)c2)c(C)n[nH]3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3467 |
| logD: | -1.587 |
| logSw: | -3.6124 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.24 |
| InChI Key: | XBCMNNXRLUZJFO-UHFFFAOYSA-N |