N-(4-bromophenyl)-2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
N-(4-bromophenyl)-2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C365-0052 |
| Compound Name: | N-(4-bromophenyl)-2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 456.32 |
| Molecular Formula: | C19 H14 Br N5 O2 S |
| Smiles: | C(C(Nc1ccc(cc1)[Br])=O)SC1NC(c2cnn(c3ccccc3)c2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8221 |
| logD: | 3.7591 |
| logSw: | -3.993 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.601 |
| InChI Key: | LIIYFKJOPOCBCO-UHFFFAOYSA-N |