N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(4-chlorophenyl)-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-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K781-0565 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 506.37 |
| Molecular Formula: | C21 H17 Cl2 N5 O4 S |
| Smiles: | COc1cc(c(cc1NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)[Cl])=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 3.4991 |
| logD: | 3.4954 |
| logSw: | -3.8838 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.139 |
| InChI Key: | XXXXAPQYBSGYLU-UHFFFAOYSA-N |