1,3,9-trimethyl-8-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,9-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3,9-trimethyl-8-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,9-dihydro-1H-purine-2,6-dione
1,3,9-trimethyl-8-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,9-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | G856-8510 |
| Compound Name: | 1,3,9-trimethyl-8-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,9-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 384.38 |
| Molecular Formula: | C16 H15 F3 N4 O2 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4414 |
| logD: | 3.4414 |
| logSw: | -3.8964 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.04 |
| InChI Key: | AZJYRMFWRNZZMF-UHFFFAOYSA-N |