2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide
Chemical Structure Depiction of
2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide
2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide
Compound characteristics
| Compound ID: | IB08-0410 |
| Compound Name: | 2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide |
| Molecular Weight: | 464.76 |
| Molecular Formula: | C19 H12 Cl3 N5 O S |
| Smiles: | C(C(Nc1cc(ccc1[Cl])[Cl])=O)Sc1c2cnn(c3ccc(cc3)[Cl])c2ncn1 |
| Stereo: | ACHIRAL |
| logP: | 5.28 |
| logD: | 5.27 |
| logSw: | -6.35 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.89 |
| InChI Key: | KOTUONQDJVVYIH-UHFFFAOYSA-N |