7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-3872 |
| Compound Name: | 7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 475.34 |
| Molecular Formula: | C20 H23 Br N6 O3 |
| Smiles: | CN1CCN(CC1)c1nc2c(C(N(C)C(N2C)=O)=O)n1CC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6784 |
| logD: | 1.0731 |
| logSw: | -2.7566 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.421 |
| InChI Key: | ZBDXFKAFSDVTKP-UHFFFAOYSA-N |