2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | K898-0356 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 483.39 |
| Molecular Formula: | C21 H19 Br N6 O S |
| Smiles: | Cc1cccc(c1)NC(CSC1=Nc2c(C(=N)N1c1ccc(cc1)[Br])c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9375 |
| logD: | -0.3311 |
| logSw: | -4.1299 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.918 |
| InChI Key: | BXJDIHAGJDEGNF-UHFFFAOYSA-N |