1-{2-nitro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{2-nitro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl}piperidine-4-carboxamide
1-{2-nitro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | 8011-2086 |
| Compound Name: | 1-{2-nitro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl}piperidine-4-carboxamide |
| Molecular Weight: | 387.35 |
| Molecular Formula: | C17 H17 N5 O6 |
| Smiles: | C1CN(CCC1C(N)=O)c1ccc(C=C2C(NC(NC2=O)=O)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.033 |
| logD: | -0.3142 |
| logSw: | -2.334 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 132.934 |
| InChI Key: | VLXQXWMFHQUOIG-UHFFFAOYSA-N |