N-(4-bromophenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C099-0730 |
| Compound Name: | N-(4-bromophenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 535.4 |
| Molecular Formula: | C19 H15 Br N6 O4 S2 |
| Smiles: | C(C(Nc1ccc(cc1)[Br])=O)SC1NC(c2cnn(c3ccc(cc3)S(N)(=O)=O)c2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3043 |
| logD: | 2.2413 |
| logSw: | -2.9761 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 122.204 |
| InChI Key: | ZRJSZRCMGOSUSK-UHFFFAOYSA-N |