1-(3,4-dimethylphenyl)-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(3,4-dimethylphenyl)-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0274 |
| Compound Name: | 1-(3,4-dimethylphenyl)-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 430.45 |
| Molecular Formula: | C21 H17 F3 N4 O S |
| Smiles: | Cc1ccc(cc1C)n1c2c(cn1)C(NC(=N2)SCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5961 |
| logD: | 5.5574 |
| logSw: | -5.4026 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.452 |
| InChI Key: | ACBBOVAGDUXJMB-UHFFFAOYSA-N |