8-[(butan-2-yl)amino]-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(butan-2-yl)amino]-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(butan-2-yl)amino]-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7706-0384 |
| Compound Name: | 8-[(butan-2-yl)amino]-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C20 H27 N5 O4 |
| Smiles: | CCC(C)Nc1nc2c(C(N(C)C(N2C)=O)=O)n1CC(COc1ccccc1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0872 |
| logD: | 3.0871 |
| logSw: | -3.1765 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.678 |
| InChI Key: | XDFUSHARKRUOMV-UHFFFAOYSA-N |