8-(hexylamino)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(hexylamino)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-(hexylamino)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7706-0432 |
| Compound Name: | 8-(hexylamino)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C22 H31 N5 O4 |
| Smiles: | CCCCCCNc1nc2c(C(NC(N2C)=O)=O)n1CC(COc1cccc(C)c1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3857 |
| logD: | 4.3855 |
| logSw: | -4.0601 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.992 |
| InChI Key: | GVRMMXQISNKBFS-INIZCTEOSA-N |