8-(azepan-1-yl)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(azepan-1-yl)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(azepan-1-yl)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-3876 |
| Compound Name: | 8-(azepan-1-yl)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C22 H27 N5 O4 |
| Smiles: | CN1C(c2c(nc(N3CCCCCC3)n2CC(c2ccc(cc2)OC)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5047 |
| logD: | 3.5047 |
| logSw: | -3.5848 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.819 |
| InChI Key: | BCFNIXUPNOZTSK-UHFFFAOYSA-N |