7-[(4-chlorophenyl)methyl]-8-{[2-(diethylamino)ethyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-8-{[2-(diethylamino)ethyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-8-{[2-(diethylamino)ethyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5224-0060 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-8-{[2-(diethylamino)ethyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 404.9 |
| Molecular Formula: | C19 H25 Cl N6 O2 |
| Smiles: | CCN(CC)CCNc1nc2c(C(NC(N2C)=O)=O)n1Cc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1972 |
| logD: | 0.1223 |
| logSw: | -3.611 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.285 |
| InChI Key: | XOSPCDATRDYJKN-UHFFFAOYSA-N |