7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7706-0411 |
| Compound Name: | 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C22 H27 N7 O4 |
| Smiles: | Cc1cccc(c1)OCC(Cn1c2C(NC(N(C)c2nc1NCCCn1ccnc1)=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8958 |
| logD: | 1.6538 |
| logSw: | -2.3725 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.521 |
| InChI Key: | WMIUTHXLLCSTRX-INIZCTEOSA-N |