7-benzyl-1,3-dimethyl-8-(4-methylanilino)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-1,3-dimethyl-8-(4-methylanilino)-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-1,3-dimethyl-8-(4-methylanilino)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4550-0048 |
| Compound Name: | 7-benzyl-1,3-dimethyl-8-(4-methylanilino)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C21 H21 N5 O2 |
| Smiles: | Cc1ccc(cc1)Nc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4884 |
| logD: | 4.4883 |
| logSw: | -4.3188 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.524 |
| InChI Key: | KAPVKPPTBLWBKT-UHFFFAOYSA-N |