N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Compound characteristics
| Compound ID: | 4100-3809 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide |
| Molecular Weight: | 371.35 |
| Molecular Formula: | C17 H17 N5 O5 |
| Smiles: | CN1C(c2c(ncn2CC(NCc2ccc3c(c2)OCO3)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4973 |
| logD: | 0.4973 |
| logSw: | -2.1033 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.547 |
| InChI Key: | JPTMRBCYBDCYBQ-UHFFFAOYSA-N |