5-(3-chloro-2-methylphenyl)-6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(3-chloro-2-methylphenyl)-6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(3-chloro-2-methylphenyl)-6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K829-0444 |
| Compound Name: | 5-(3-chloro-2-methylphenyl)-6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 479.77 |
| Molecular Formula: | C20 H13 Cl3 N4 O2 S |
| Smiles: | Cc1c(cccc1[Cl])N1C(=Nc2c(cn[nH]2)C1=O)SCC(c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3608 |
| logD: | 5.3587 |
| logSw: | -5.8525 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.372 |
| InChI Key: | BJTWTPAVDDVMSR-UHFFFAOYSA-N |