7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8014-2843 |
| Compound Name: | 7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-8-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 548.58 |
| Molecular Formula: | C26 H27 F3 N4 O4 S |
| Smiles: | CCOc1ccc(Cn2c3C(N(C)C(N(C)c3nc2SCc2cccc(c2)C(F)(F)F)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 5.2843 |
| logD: | 5.2843 |
| logSw: | -5.2873 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.435 |
| InChI Key: | YKQDHSZJCDRSAL-UHFFFAOYSA-N |