8-(azepan-1-yl)-7-butyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(azepan-1-yl)-7-butyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-(azepan-1-yl)-7-butyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 1185-1878 |
| Compound Name: | 8-(azepan-1-yl)-7-butyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C16 H25 N5 O2 |
| Smiles: | CCCCn1c2C(NC(N(C)c2nc1N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3311 |
| logD: | 3.3311 |
| logSw: | -3.4387 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.192 |
| InChI Key: | KQWXEVUKCXDXTF-UHFFFAOYSA-N |