2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | K898-0334 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 475.41 |
| Molecular Formula: | C20 H23 Br N6 O S |
| Smiles: | CC1CCN(CC1)C(CSC1=Nc2c(C(=N)N1c1ccc(cc1)[Br])c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1708 |
| logD: | -1.0979 |
| logSw: | -3.3467 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.161 |
| InChI Key: | VMHAEFQCIHUODB-UHFFFAOYSA-N |