2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]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-(propan-2-yl)phenyl]acetamide
2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | K898-1269 |
| Compound Name: | 2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C24 H26 N6 O2 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1=Nc2c(C(=N)N1c1ccc(cc1)OC)c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0642 |
| logD: | -0.2044 |
| logSw: | -4.3113 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.462 |
| InChI Key: | FBBPSSZYKJJDSM-UHFFFAOYSA-N |