1-(4-chlorophenyl)-6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(4-chlorophenyl)-6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0112 |
| Compound Name: | 1-(4-chlorophenyl)-6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 396.9 |
| Molecular Formula: | C20 H17 Cl N4 O S |
| Smiles: | Cc1ccc(C)c(CSC2NC(c3cnn(c4ccc(cc4)[Cl])c3N=2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5341 |
| logD: | 5.4954 |
| logSw: | -5.8368 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.452 |
| InChI Key: | MMQDXDPEYWOYBS-UHFFFAOYSA-N |