1,3-dimethyl-8-sulfanyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-8-sulfanyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-8-sulfanyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4244-2246 |
| Compound Name: | 1,3-dimethyl-8-sulfanyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 370.35 |
| Molecular Formula: | C15 H13 F3 N4 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2cccc(c2)C(F)(F)F)S)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1468 |
| logD: | 3.1407 |
| logSw: | -3.2126 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.76 |
| InChI Key: | FIKBJHMBMNFSBL-UHFFFAOYSA-N |