8-(azepan-1-yl)-7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(azepan-1-yl)-7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(azepan-1-yl)-7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-2912 |
| Compound Name: | 8-(azepan-1-yl)-7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 474.36 |
| Molecular Formula: | C21 H24 Br N5 O3 |
| Smiles: | CN1C(c2c(nc(N3CCCCCC3)n2CC(c2ccc(cc2)[Br])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3562 |
| logD: | 4.3562 |
| logSw: | -4.1998 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.276 |
| InChI Key: | BMMWWCMFZYMYBH-UHFFFAOYSA-N |