8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | G856-8487 |
| Compound Name: | 8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 374.42 |
| Molecular Formula: | C17 H18 N4 O4 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCC(c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1922 |
| logD: | 2.1922 |
| logSw: | -2.4898 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.83 |
| InChI Key: | DXFUEDSIAOCCJN-UHFFFAOYSA-N |