8-{[2-(diethylamino)ethyl]amino}-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[2-(diethylamino)ethyl]amino}-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-{[2-(diethylamino)ethyl]amino}-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7706-0421 |
| Compound Name: | 8-{[2-(diethylamino)ethyl]amino}-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C22 H32 N6 O4 |
| Smiles: | CCN(CC)CCNc1nc2c(C(NC(N2C)=O)=O)n1CC(COc1cccc(C)c1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8645 |
| logD: | -0.2105 |
| logSw: | -3.0812 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.403 |
| InChI Key: | GKVYMERXYGBXIW-INIZCTEOSA-N |