8-(azepan-1-yl)-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(azepan-1-yl)-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
8-(azepan-1-yl)-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2516-4369 |
| Compound Name: | 8-(azepan-1-yl)-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 317.39 |
| Molecular Formula: | C16 H23 N5 O2 |
| Smiles: | CC(=C)Cn1c2C(NC(N(C)c2nc1N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2458 |
| logD: | 3.2458 |
| logSw: | -3.1848 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.214 |
| InChI Key: | PGZWZZCLTUEWOL-UHFFFAOYSA-N |