methyl 2-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzoate
methyl 2-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | 4130-5287 |
| Compound Name: | methyl 2-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzoate |
| Molecular Weight: | 371.35 |
| Molecular Formula: | C17 H17 N5 O5 |
| Smiles: | CN1C(c2c(ncn2CC(Nc2ccccc2C(=O)OC)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.731 |
| logD: | 0.7078 |
| logSw: | -2.3375 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.586 |
| InChI Key: | ZBECPCXJSKEXDH-UHFFFAOYSA-N |