7-benzyl-8-(4-ethoxyanilino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-8-(4-ethoxyanilino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-8-(4-ethoxyanilino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4550-0068 |
| Compound Name: | 7-benzyl-8-(4-ethoxyanilino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C22 H23 N5 O3 |
| Smiles: | CCOc1ccc(cc1)Nc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.434 |
| logD: | 4.4339 |
| logSw: | -4.1987 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.648 |
| InChI Key: | SOWXZZAYZYZXPX-UHFFFAOYSA-N |