dimethyl 5-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzene-1,3-dicarboxylate
dimethyl 5-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 3455-3271 |
| Compound Name: | dimethyl 5-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzene-1,3-dicarboxylate |
| Molecular Weight: | 429.39 |
| Molecular Formula: | C19 H19 N5 O7 |
| Smiles: | CN1C(c2c(ncn2CC(Nc2cc(cc(c2)C(=O)OC)C(=O)OC)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4953 |
| logD: | 1.4953 |
| logSw: | -2.2841 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.457 |
| InChI Key: | GCWJNBYIPXYYRL-UHFFFAOYSA-N |