6-{[(2-chlorophenyl)methyl]sulfanyl}-1-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[(2-chlorophenyl)methyl]sulfanyl}-1-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[(2-chlorophenyl)methyl]sulfanyl}-1-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0273 |
| Compound Name: | 6-{[(2-chlorophenyl)methyl]sulfanyl}-1-(3,4-dimethylphenyl)-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(cc1C)n1c2c(cn1)C(NC(=N2)SCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4981 |
| logD: | 5.4711 |
| logSw: | -5.8082 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.452 |
| InChI Key: | KXHHCNTYQKRSEZ-UHFFFAOYSA-N |