methyl 4-{2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G856-8462 |
| Compound Name: | methyl 4-{2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 417.44 |
| Molecular Formula: | C18 H19 N5 O5 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCC(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1733 |
| logD: | 2.1732 |
| logSw: | -2.7054 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.363 |
| InChI Key: | YIIUFOLQNMLPCX-UHFFFAOYSA-N |