5-{[4-(4-benzoylpiperazin-1-yl)-3-nitrophenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[4-(4-benzoylpiperazin-1-yl)-3-nitrophenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
5-{[4-(4-benzoylpiperazin-1-yl)-3-nitrophenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 3448-5973 |
| Compound Name: | 5-{[4-(4-benzoylpiperazin-1-yl)-3-nitrophenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 477.48 |
| Molecular Formula: | C24 H23 N5 O6 |
| Smiles: | CN1C(C(=Cc2ccc(c(c2)[N+]([O-])=O)N2CCN(CC2)C(c2ccccc2)=O)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1971 |
| logD: | 2.1971 |
| logSw: | -2.836 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.814 |
| InChI Key: | KENVOJOLLLDYPD-UHFFFAOYSA-N |