8-(butylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(butylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(butylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4550-0112 |
| Compound Name: | 8-(butylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C21 H29 N5 O4 |
| Smiles: | CCCCNc1nc2c(C(N(C)C(N2C)=O)=O)n1CC(COc1ccccc1C)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.984 |
| logD: | 3.984 |
| logSw: | -3.9401 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.165 |
| InChI Key: | DILLLDUAWTUTTE-HNNXBMFYSA-N |