6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-9H-purine
Chemical Structure Depiction of
6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-9H-purine
6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-9H-purine
Compound characteristics
| Compound ID: | D691-0039 |
| Compound Name: | 6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-9H-purine |
| Molecular Weight: | 294.73 |
| Molecular Formula: | C12 H8 Cl F N4 S |
| Smiles: | C(c1c(cccc1[Cl])F)Sc1c2c(ncn1)[nH]cn2 |
| Stereo: | ACHIRAL |
| logP: | 2.7981 |
| logD: | 2.7979 |
| logSw: | -3.4867 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.535 |
| InChI Key: | DFQOKWOPILIEDQ-UHFFFAOYSA-N |