2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
Compound ID: | K781-0575 |
Compound Name: | 2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide |
Molecular Weight: | 453.95 |
Molecular Formula: | C22 H20 Cl N5 O2 S |
Smiles: | CC(C)c1ccc(cc1)NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.5385 |
logD: | 4.5373 |
logSw: | -4.803 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.576 |
InChI Key: | RBNPQBNFMQBXFQ-UHFFFAOYSA-N |