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 |