8-(azepan-1-yl)-7-[2-(azepan-1-yl)ethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(azepan-1-yl)-7-[2-(azepan-1-yl)ethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-(azepan-1-yl)-7-[2-(azepan-1-yl)ethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0064 |
| Compound Name: | 8-(azepan-1-yl)-7-[2-(azepan-1-yl)ethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 388.51 |
| Molecular Formula: | C20 H32 N6 O2 |
| Smiles: | CN1C(NC(c2c1nc(N1CCCCCC1)n2CCN1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2598 |
| logD: | 0.396 |
| logSw: | -3.3248 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.234 |
| InChI Key: | BUGSHYCRAVCTKK-UHFFFAOYSA-N |