1-benzyl-N-(5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-yl)piperidin-4-amine
Chemical Structure Depiction of
1-benzyl-N-(5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-yl)piperidin-4-amine
1-benzyl-N-(5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-yl)piperidin-4-amine
Compound characteristics
| Compound ID: | C359-0121 |
| Compound Name: | 1-benzyl-N-(5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-yl)piperidin-4-amine |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C20 H22 N6 O3 |
| Smiles: | C1CN(CCC1Nc1c(nn(c2ccccc2)[n+]1[O-])[N+]([O-])=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8512 |
| logD: | 2.0785 |
| logSw: | -3.1923 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.671 |
| InChI Key: | KGWDIYMLQDNMQP-UHFFFAOYSA-N |