2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(butan-2-yl)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-(butan-2-yl)acetamide
2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(butan-2-yl)acetamide
Compound characteristics
| Compound ID: | K898-0336 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(butan-2-yl)acetamide |
| Molecular Weight: | 449.37 |
| Molecular Formula: | C18 H21 Br N6 O S |
| Smiles: | CCC(C)NC(CSC1=Nc2c(C(=N)N1c1ccc(cc1)[Br])c(C)n[nH]2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7248 |
| logD: | -1.5439 |
| logSw: | -3.0633 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.953 |
| InChI Key: | WFHBKNYWLKBHPO-JTQLQIEISA-N |