6-{[(3-chlorophenyl)methyl]sulfanyl}-9H-purine
Chemical Structure Depiction of
6-{[(3-chlorophenyl)methyl]sulfanyl}-9H-purine
6-{[(3-chlorophenyl)methyl]sulfanyl}-9H-purine
Compound characteristics
| Compound ID: | D691-0037 |
| Compound Name: | 6-{[(3-chlorophenyl)methyl]sulfanyl}-9H-purine |
| Molecular Weight: | 276.74 |
| Molecular Formula: | C12 H9 Cl N4 S |
| Smiles: | C(c1cccc(c1)[Cl])Sc1c2c(ncn1)[nH]cn2 |
| Stereo: | ACHIRAL |
| logP: | 2.7045 |
| logD: | 2.7043 |
| logSw: | -3.4183 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.535 |
| InChI Key: | KFAOWRCIGSQBSV-UHFFFAOYSA-N |