N-[2-(cyclohex-1-en-1-yl)ethyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
N-[2-(cyclohex-1-en-1-yl)ethyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0494 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 329.36 |
| Molecular Formula: | C16 H19 N5 O3 |
| Smiles: | C1CCC(CCNc2c(nn(c3ccccc3)[n+]2[O-])[N+]([O-])=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.1714 |
| logD: | 3.1714 |
| logSw: | -3.3248 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.439 |
| InChI Key: | DCDFQXCNPWNYSB-UHFFFAOYSA-N |