8-(benzylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(benzylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-(benzylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2513-4169 |
| Compound Name: | 8-(benzylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 435.48 |
| Molecular Formula: | C23 H25 N5 O4 |
| Smiles: | Cc1ccccc1OCC(Cn1c2C(NC(N(C)c2nc1NCc1ccccc1)=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5189 |
| logD: | 3.5187 |
| logSw: | -3.6305 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.965 |
| InChI Key: | JSUGBGWTSFJOGI-KRWDZBQOSA-N |