N-benzyl-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-benzyl-2-{[5-(2,4-dichlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-benzyl-2-{[5-(2,4-dichlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K643-0078 |
| Compound Name: | N-benzyl-2-{[5-(2,4-dichlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 460.34 |
| Molecular Formula: | C20 H15 Cl2 N5 O2 S |
| Smiles: | C(c1ccccc1)NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5187 |
| logD: | 3.517 |
| logSw: | -3.9076 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.597 |
| InChI Key: | PRZPBQGAIZTLAW-UHFFFAOYSA-N |