5-(4-chloro-3-methylphenyl)-6-{[(2-methylphenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(4-chloro-3-methylphenyl)-6-{[(2-methylphenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(4-chloro-3-methylphenyl)-6-{[(2-methylphenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K829-0248 |
| Compound Name: | 5-(4-chloro-3-methylphenyl)-6-{[(2-methylphenyl)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: | Cc1ccccc1CSC1=Nc2c(cn[nH]2)C(N1c1ccc(c(C)c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3833 |
| logD: | 5.3692 |
| logSw: | -5.8628 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.426 |
| InChI Key: | BAWUOPRMNZTGGH-UHFFFAOYSA-N |