N-(3,4-dimethylphenyl)-2-{[5-(4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-{[5-(4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(3,4-dimethylphenyl)-2-{[5-(4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K781-5635 |
| Compound Name: | N-(3,4-dimethylphenyl)-2-{[5-(4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Smiles: | Cc1ccc(cc1C)NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5754 |
| logD: | 3.5741 |
| logSw: | -3.674 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.119 |
| InChI Key: | ITNLCNGGNITWBA-UHFFFAOYSA-N |