N-(2H-1,3-benzodioxol-5-yl)-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-8458 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C17 H17 N5 O5 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9157 |
| logD: | 1.9156 |
| logSw: | -2.8271 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.305 |
| InChI Key: | JZXMEEJVDLROJN-UHFFFAOYSA-N |