N-[(4-methoxyphenyl)methyl]-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-methoxyphenyl)methyl]-2-{[5-(naphthalen-1-yl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-[(4-methoxyphenyl)methyl]-2-{[5-(naphthalen-1-yl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K781-0549 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-2-{[5-(naphthalen-1-yl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 471.54 |
| Molecular Formula: | C25 H21 N5 O3 S |
| Smiles: | COc1ccc(CNC(CSC2=Nc3c(cn[nH]3)C(N2c2cccc3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5258 |
| logD: | 3.5067 |
| logSw: | -3.6201 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.869 |
| InChI Key: | PWHBMQBRXPUPMA-UHFFFAOYSA-N |