8-(benzylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(benzylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-(benzylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2516-4216 |
| Compound Name: | 8-(benzylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C23 H25 N5 O5 |
| Smiles: | CN1C(NC(c2c1nc(NCc1ccccc1)n2CC(COc1ccc(cc1)OC)O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9023 |
| logD: | 2.9021 |
| logSw: | -3.392 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.423 |
| InChI Key: | WGCVGQDOYHKJNH-INIZCTEOSA-N |