8-{[2-(diethylamino)ethyl]amino}-1,3-dimethyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[2-(diethylamino)ethyl]amino}-1,3-dimethyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
8-{[2-(diethylamino)ethyl]amino}-1,3-dimethyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5224-0064 |
| Compound Name: | 8-{[2-(diethylamino)ethyl]amino}-1,3-dimethyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 398.51 |
| Molecular Formula: | C21 H30 N6 O2 |
| Smiles: | CCN(CC)CCNc1nc2c(C(N(C)C(N2C)=O)=O)n1C(C)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3163 |
| logD: | 0.2414 |
| logSw: | -3.4356 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.066 |
| InChI Key: | XVACPGFHKFDSDD-HNNXBMFYSA-N |