8-[benzyl(methyl)amino]-7-(but-2-en-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[benzyl(methyl)amino]-7-(but-2-en-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-[benzyl(methyl)amino]-7-(but-2-en-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4236-0950 |
| Compound Name: | 8-[benzyl(methyl)amino]-7-(but-2-en-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 339.4 |
| Molecular Formula: | C18 H21 N5 O2 |
| Smiles: | C/C=C/Cn1c2C(NC(N(C)c2nc1N(C)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3836 |
| logD: | 3.3836 |
| logSw: | -3.728 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.363 |
| InChI Key: | UFEBCZQYCHFGTD-UHFFFAOYSA-N |