propyl 4-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzoate
Chemical Structure Depiction of
propyl 4-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzoate
propyl 4-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | 3455-3274 |
| Compound Name: | propyl 4-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]benzoate |
| Molecular Weight: | 399.4 |
| Molecular Formula: | C19 H21 N5 O5 |
| Smiles: | CCCOC(c1ccc(cc1)NC(Cn1cnc2c1C(N(C)C(N2C)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1196 |
| logD: | 2.1195 |
| logSw: | -2.8346 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.158 |
| InChI Key: | XQNNSPNNNYHKMW-UHFFFAOYSA-N |