7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(3-methylanilino)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(3-methylanilino)-3,7-dihydro-1H-purine-2,6-dione
7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(3-methylanilino)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5224-0080 |
| Compound Name: | 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(3-methylanilino)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 465.51 |
| Molecular Formula: | C24 H27 N5 O5 |
| Smiles: | Cc1cccc(c1)Nc1nc2c(C(N(C)C(N2C)=O)=O)n1CC(COc1ccc(cc1)OC)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.178 |
| logD: | 4.1779 |
| logSw: | -4.3357 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.187 |
| InChI Key: | LVUWOYOPMGLSJX-KRWDZBQOSA-N |