N-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-2-{[5-(naphthalen-1-yl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(3,4-dimethoxyphenyl)-2-{[5-(naphthalen-1-yl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K781-0536 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-{[5-(naphthalen-1-yl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 487.54 |
| Molecular Formula: | C25 H21 N5 O4 S |
| Smiles: | COc1ccc(cc1OC)NC(CSC1=Nc2c(cn[nH]2)C(N1c1cccc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.397 |
| logD: | 3.395 |
| logSw: | -3.639 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.264 |
| InChI Key: | IMFBFWLBSMPMMV-UHFFFAOYSA-N |