1,3,9-trimethyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,9-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3,9-trimethyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,9-dihydro-1H-purine-2,6-dione
1,3,9-trimethyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,9-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | G856-8486 |
| Compound Name: | 1,3,9-trimethyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,9-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C16 H16 N4 O3 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1047 |
| logD: | 2.1047 |
| logSw: | -2.4713 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.287 |
| InChI Key: | ROJIZWYBXOZIOZ-UHFFFAOYSA-N |