N-(4-chlorophenyl)-2-{[5-(naphthalen-1-yl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[5-(naphthalen-1-yl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[5-(naphthalen-1-yl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K781-0534 |
| Compound Name: | N-(4-chlorophenyl)-2-{[5-(naphthalen-1-yl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 461.93 |
| Molecular Formula: | C23 H16 Cl N5 O2 S |
| Smiles: | C(C(Nc1ccc(cc1)[Cl])=O)SC1=Nc2c(cn[nH]2)C(N1c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4568 |
| logD: | 4.4548 |
| logSw: | -4.7628 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.003 |
| InChI Key: | PWIJHKKXJVTRIG-UHFFFAOYSA-N |