2-{[5-(3-chloro-4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(2-chlorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(3-chloro-4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(2-chlorophenyl)methyl]acetamide
2-{[5-(3-chloro-4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(2-chlorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | K781-0124 |
| Compound Name: | 2-{[5-(3-chloro-4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(2-chlorophenyl)methyl]acetamide |
| Molecular Weight: | 478.33 |
| Molecular Formula: | C20 H14 Cl2 F N5 O2 S |
| Smiles: | C(c1ccccc1[Cl])NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6637 |
| logD: | 3.6619 |
| logSw: | -4.0385 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.898 |
| InChI Key: | GRIWAMPUKSQETF-UHFFFAOYSA-N |