1-{4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-nitrophenyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-nitrophenyl}piperidine-4-carboxamide
1-{4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-nitrophenyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | 8010-6307 |
| Compound Name: | 1-{4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-nitrophenyl}piperidine-4-carboxamide |
| Molecular Weight: | 415.4 |
| Molecular Formula: | C19 H21 N5 O6 |
| Smiles: | CN1C(C(=Cc2ccc(c(c2)[N+]([O-])=O)N2CCC(CC2)C(N)=O)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8905 |
| logD: | 0.8905 |
| logSw: | -1.8325 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.417 |
| InChI Key: | BVSBKLBUCDTNSX-UHFFFAOYSA-N |