N-[(2H-1,3-benzodioxol-5-yl)methyl]-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)methyl]-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)methyl]-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-8468 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 417.44 |
| Molecular Formula: | C18 H19 N5 O5 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.677 |
| logD: | 1.677 |
| logSw: | -2.5312 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.627 |
| InChI Key: | NGNKNCQXBFJWMC-UHFFFAOYSA-N |