6-{[(4-ethenylphenyl)methyl]sulfanyl}-9H-purine
Chemical Structure Depiction of
6-{[(4-ethenylphenyl)methyl]sulfanyl}-9H-purine
6-{[(4-ethenylphenyl)methyl]sulfanyl}-9H-purine
Compound characteristics
Compound ID: | D691-0050 |
Compound Name: | 6-{[(4-ethenylphenyl)methyl]sulfanyl}-9H-purine |
Molecular Weight: | 268.34 |
Molecular Formula: | C14 H12 N4 S |
Smiles: | C=Cc1ccc(CSc2c3c(ncn2)[nH]cn3)cc1 |
Stereo: | ACHIRAL |
logP: | 2.3659 |
logD: | 2.3657 |
logSw: | -2.3323 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 42.535 |
InChI Key: | UWBHCMKZTINLHD-UHFFFAOYSA-N |