ethyl 2-[3-(2-methylphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]propanoate
Chemical Structure Depiction of
ethyl 2-[3-(2-methylphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]propanoate
ethyl 2-[3-(2-methylphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]propanoate
Compound characteristics
| Compound ID: | V012-5899 |
| Compound Name: | ethyl 2-[3-(2-methylphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]propanoate |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C21 H26 N4 O4 |
| Smiles: | CCOC(C(C)n1cnc2c1C(N(CC(C)C)C(N2c1ccccc1C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3368 |
| logD: | 3.3368 |
| logSw: | -3.4971 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.682 |
| InChI Key: | RVLHJCUNMZLBDT-HNNXBMFYSA-N |