N-(4-bromophenyl)-2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-0204 |
| Compound Name: | N-(4-bromophenyl)-2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 483.39 |
| Molecular Formula: | C21 H19 Br N6 O S |
| Smiles: | Cc1ccccc1N1C(c2c(C)n[nH]c2N=C1SCC(Nc1ccc(cc1)[Br])=O)=N |
| Stereo: | ACHIRAL |
| logP: | 4.0056 |
| logD: | -0.3361 |
| logSw: | -4.2377 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.617 |
| InChI Key: | KELUBSIKDRCNNL-UHFFFAOYSA-N |