1,3,7-trimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3,7-trimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
1,3,7-trimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D041-0001 |
| Compound Name: | 1,3,7-trimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 353.4 |
| Molecular Formula: | C14 H19 N5 O4 S |
| Smiles: | CN1C(c2c(nc(n2C)SCC(N2CCOCC2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1868 |
| logD: | 0.1867 |
| logSw: | -0.8468 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.397 |
| InChI Key: | SPUHCLJEHZUIOH-UHFFFAOYSA-N |