3-methyl-1-(5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-yl)piperidine
Chemical Structure Depiction of
3-methyl-1-(5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-yl)piperidine
3-methyl-1-(5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-yl)piperidine
Compound characteristics
| Compound ID: | C301-0172 |
| Compound Name: | 3-methyl-1-(5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-yl)piperidine |
| Molecular Weight: | 303.32 |
| Molecular Formula: | C14 H17 N5 O3 |
| Smiles: | CC1CCCN(C1)c1c(nn(c2ccccc2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6695 |
| logD: | 2.6695 |
| logSw: | -2.8114 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.691 |
| InChI Key: | KNJUATXSDNXOIH-NSHDSACASA-N |