8-(azepan-1-yl)-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(azepan-1-yl)-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
8-(azepan-1-yl)-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2545-1410 |
| Compound Name: | 8-(azepan-1-yl)-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 367.45 |
| Molecular Formula: | C20 H25 N5 O2 |
| Smiles: | CN1C(NC(c2c1nc(N1CCCCCC1)n2CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7691 |
| logD: | 3.769 |
| logSw: | -3.8894 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.921 |
| InChI Key: | VCFVJUMODDBWFG-UHFFFAOYSA-N |