8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-2915 |
| Compound Name: | 8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 595.45 |
| Molecular Formula: | C27 H27 Br N6 O5 |
| Smiles: | CN1C(c2c(nc(N3CCN(CC3)Cc3ccc4c(c3)OCO4)n2CC(c2ccc(cc2)[Br])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0478 |
| logD: | 2.2481 |
| logSw: | -4.1551 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.6 |
| InChI Key: | XNCRJDJXKFXHNE-UHFFFAOYSA-N |