1,3-dimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-9816 |
| Compound Name: | 1,3-dimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 503.52 |
| Molecular Formula: | C25 H25 N7 O5 |
| Smiles: | CN1C(c2c(nc(N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)n2CC(c2ccccc2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6039 |
| logD: | 3.6038 |
| logSw: | -3.671 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 95.586 |
| InChI Key: | DVUGGIGYCVAFBM-UHFFFAOYSA-N |