9-methyl-8-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
9-methyl-8-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,9-dihydro-6H-purin-6-one
9-methyl-8-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0052 |
| Compound Name: | 9-methyl-8-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 340.32 |
| Molecular Formula: | C14 H11 F3 N4 O S |
| Smiles: | Cn1c2c(C(NC=N2)=O)nc1SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.3122 |
| logD: | 2.3116 |
| logSw: | -2.8543 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.512 |
| InChI Key: | WGCHSAGAVGYEMC-UHFFFAOYSA-N |