N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | K643-0213 |
| Compound Name: | N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 548.57 |
| Molecular Formula: | C25 H17 F N6 O4 S2 |
| Smiles: | C(C(Nc1cc(cc(c1)Sc1ccc(cc1)F)[N+]([O-])=O)=O)SC1=Nc2c(cn[nH]2)C(N1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7792 |
| logD: | 4.7779 |
| logSw: | -4.6748 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.686 |
| InChI Key: | XQQBEBSFBWYMOD-UHFFFAOYSA-N |