8-{[2-(dimethylamino)ethyl]amino}-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[2-(dimethylamino)ethyl]amino}-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-{[2-(dimethylamino)ethyl]amino}-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3346-2701 |
| Compound Name: | 8-{[2-(dimethylamino)ethyl]amino}-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C19 H25 N7 O6 |
| Smiles: | CN(C)CCNc1nc2c(C(NC(N2C)=O)=O)n1CC(COc1ccc(cc1)[N+]([O-])=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4185 |
| logD: | -1.3492 |
| logSw: | -2.2452 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.239 |
| InChI Key: | IJADZSGJJYPMCM-ZDUSSCGKSA-N |