1,3-dimethyl-7-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3010-1440 |
| Compound Name: | 1,3-dimethyl-7-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 427.42 |
| Molecular Formula: | C19 H21 N7 O5 |
| Smiles: | CN1C(c2c(ncn2CC(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6264 |
| logD: | 0.6264 |
| logSw: | -1.7282 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 95.995 |
| InChI Key: | BGZYPADYURYJQJ-UHFFFAOYSA-N |