8-(cyclohexylamino)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(cyclohexylamino)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-(cyclohexylamino)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3346-2623 |
| Compound Name: | 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C21 H26 N6 O6 |
| Smiles: | CN1C(NC(c2c1nc(NC1CCCCC1)n2CC(COc1ccc(cc1)[N+]([O-])=O)O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4273 |
| logD: | 3.4271 |
| logSw: | -3.5957 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.986 |
| InChI Key: | GWGVWQMBZQKYAY-HNNXBMFYSA-N |