6-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-9H-purine
Chemical Structure Depiction of
6-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-9H-purine
6-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-9H-purine
Compound characteristics
Compound ID: | D691-0048 |
Compound Name: | 6-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-9H-purine |
Molecular Weight: | 294.73 |
Molecular Formula: | C12 H8 Cl F N4 S |
Smiles: | C(c1ccc(cc1[Cl])F)Sc1c2c(ncn1)[nH]cn2 |
Stereo: | ACHIRAL |
logP: | 2.9487 |
logD: | 2.9485 |
logSw: | -3.4591 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 42.535 |
InChI Key: | AQJDBRZFKSPWQJ-UHFFFAOYSA-N |