6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-9H-purine
Chemical Structure Depiction of
6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-9H-purine
6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-9H-purine
Compound characteristics
| Compound ID: | D691-0045 |
| Compound Name: | 6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-9H-purine |
| Molecular Weight: | 310.3 |
| Molecular Formula: | C13 H9 F3 N4 S |
| Smiles: | C(c1cccc(c1)C(F)(F)F)Sc1c2c(ncn1)[nH]cn2 |
| Stereo: | ACHIRAL |
| logP: | 2.8058 |
| logD: | 2.8057 |
| logSw: | -3.0934 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.535 |
| InChI Key: | GTVGINQLSNFIIQ-UHFFFAOYSA-N |