N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K781-0744 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 501.95 |
| Molecular Formula: | C22 H20 Cl N5 O5 S |
| Smiles: | COc1cc(c(cc1NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccccc1OC)=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 2.7638 |
| logD: | 2.7598 |
| logSw: | -3.585 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.468 |
| InChI Key: | HLSIKCIQQCDMRF-UHFFFAOYSA-N |