2-{[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
2-{[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | K829-0187 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide |
| Molecular Weight: | 504.79 |
| Molecular Formula: | C20 H15 Br Cl N5 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2468 |
| logD: | 4.2456 |
| logSw: | -4.4205 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.878 |
| InChI Key: | VXOLPUCZAOTDFQ-UHFFFAOYSA-N |