ethyl 2-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 2-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzoate
ethyl 2-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | 3455-3322 |
| Compound Name: | ethyl 2-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzoate |
| Molecular Weight: | 385.38 |
| Molecular Formula: | C18 H19 N5 O5 |
| Smiles: | CCOC(c1ccccc1NC(Cn1cnc2c1C(N(C)C(N2C)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2747 |
| logD: | 1.2515 |
| logSw: | -2.452 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.166 |
| InChI Key: | LHEWNKDKPFYSHV-UHFFFAOYSA-N |