N-{2-[(2H-1,3-benzodioxol-5-yl)oxy]ethyl}-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)acetamide
Chemical Structure Depiction of
N-{2-[(2H-1,3-benzodioxol-5-yl)oxy]ethyl}-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)acetamide
N-{2-[(2H-1,3-benzodioxol-5-yl)oxy]ethyl}-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)acetamide
Compound characteristics
| Compound ID: | D283-0029 |
| Compound Name: | N-{2-[(2H-1,3-benzodioxol-5-yl)oxy]ethyl}-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)acetamide |
| Molecular Weight: | 401.38 |
| Molecular Formula: | C18 H19 N5 O6 |
| Smiles: | CN1C(c2c(N(C)C1=O)n(CC(NCCOc1ccc3c(c1)OCO3)=O)cn2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6487 |
| logD: | 0.6487 |
| logSw: | -2.043 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.75 |
| InChI Key: | NLUNYKOIDQEPOL-UHFFFAOYSA-N |