7-{2-hydroxy-3-[(propan-2-yl)oxy]propyl}-3-methyl-8-{2-[(4-methylphenyl)methylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-{2-hydroxy-3-[(propan-2-yl)oxy]propyl}-3-methyl-8-{2-[(4-methylphenyl)methylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
7-{2-hydroxy-3-[(propan-2-yl)oxy]propyl}-3-methyl-8-{2-[(4-methylphenyl)methylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4550-0088 |
| Compound Name: | 7-{2-hydroxy-3-[(propan-2-yl)oxy]propyl}-3-methyl-8-{2-[(4-methylphenyl)methylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C20 H26 N6 O4 |
| Smiles: | CC(C)OCC(Cn1c2C(NC(N(C)c2nc1N/N=C/c1ccc(C)cc1)=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7185 |
| logD: | 2.7165 |
| logSw: | -3.1071 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.836 |
| InChI Key: | ARDMAAWNUMGGBG-HNNXBMFYSA-N |