N-[2-(3-methylphenyl)ethyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-[2-(3-methylphenyl)ethyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
N-[2-(3-methylphenyl)ethyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C359-0104 |
| Compound Name: | N-[2-(3-methylphenyl)ethyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 339.35 |
| Molecular Formula: | C17 H17 N5 O3 |
| Smiles: | Cc1cccc(CCNc2c(nn(c3ccccc3)[n+]2[O-])[N+]([O-])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3916 |
| logD: | 3.3916 |
| logSw: | -3.6323 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.247 |
| InChI Key: | DRSMDACQTYZNAR-UHFFFAOYSA-N |