8-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one
8-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | G754-0233 |
| Compound Name: | 8-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 393.47 |
| Molecular Formula: | C20 H19 N5 O2 S |
| Smiles: | Cc1cnc(CSc2nc3C(NC=Nc3n2c2ccccc2)=O)c(C)c1OC |
| Stereo: | ACHIRAL |
| logP: | 2.806 |
| logD: | 2.7926 |
| logSw: | -3.1164 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.294 |
| InChI Key: | OSFYUJHWVYFILD-UHFFFAOYSA-N |