5-{[4-(4-benzoylpiperazin-1-yl)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[4-(4-benzoylpiperazin-1-yl)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
5-{[4-(4-benzoylpiperazin-1-yl)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 8010-6308 |
| Compound Name: | 5-{[4-(4-benzoylpiperazin-1-yl)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 449.42 |
| Molecular Formula: | C22 H19 N5 O6 |
| Smiles: | C1CN(CCN1C(c1ccccc1)=O)c1ccc(C=C2C(NC(NC2=O)=O)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3396 |
| logD: | 0.9923 |
| logSw: | -2.3722 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.331 |
| InChI Key: | UTGBBDTZQIWCRL-UHFFFAOYSA-N |