8-(azepan-1-yl)-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(azepan-1-yl)-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-(azepan-1-yl)-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2516-4502 |
| Compound Name: | 8-(azepan-1-yl)-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 447.92 |
| Molecular Formula: | C21 H26 Cl N5 O4 |
| Smiles: | CN1C(NC(c2c1nc(N1CCCCCC1)n2CC(COc1ccc(cc1)[Cl])O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.985 |
| logD: | 3.985 |
| logSw: | -4.1751 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.061 |
| InChI Key: | LPKAXRDCCFUYHQ-HNNXBMFYSA-N |