methyl 4-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzoate
methyl 4-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | 3455-3326 |
| Compound Name: | methyl 4-[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(Nc2ccc(cc2)C(=O)OC)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0972 |
| logD: | 1.0971 |
| logSw: | -2.1525 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.284 |
| InChI Key: | APFOMGKYUZJNSR-UHFFFAOYSA-N |