N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(2,4-dichlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K643-0067 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(2,4-dichlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 540.81 |
| Molecular Formula: | C21 H16 Cl3 N5 O4 S |
| Smiles: | COc1cc(c(cc1NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1[Cl])[Cl])=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 4.1362 |
| logD: | 4.1325 |
| logSw: | -4.3885 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.838 |
| InChI Key: | JHDILEHWGFWWEO-UHFFFAOYSA-N |