8-(azepan-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(azepan-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(azepan-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0020 |
| Compound Name: | 8-(azepan-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 277.32 |
| Molecular Formula: | C13 H19 N5 O2 |
| Smiles: | CN1C(c2c(nc([nH]2)N2CCCCCC2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9899 |
| logD: | 1.9897 |
| logSw: | -2.2109 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.785 |
| InChI Key: | YNWGDLGPNITDNQ-UHFFFAOYSA-N |