2-{[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-ethyl-N-(3-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-ethyl-N-(3-methylphenyl)acetamide
2-{[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | K829-0197 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 498.4 |
| Molecular Formula: | C22 H20 Br N5 O2 S |
| Smiles: | CCN(C(CSC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)[Br])=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3689 |
| logD: | 4.3675 |
| logSw: | -4.1339 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.518 |
| InChI Key: | SWFMCIQUHPJUOV-UHFFFAOYSA-N |