6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(2,4-dichlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(2,4-dichlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(2,4-dichlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K643-0102 |
| Compound Name: | 6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(2,4-dichlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 455.72 |
| Molecular Formula: | C18 H10 Cl3 F N4 O S |
| Smiles: | C(c1c(cccc1[Cl])F)SC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1886 |
| logD: | 5.1872 |
| logSw: | -5.5272 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.125 |
| InChI Key: | BZVBVZZDQFLVKQ-UHFFFAOYSA-N |