1-[2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]azepane
Chemical Structure Depiction of
1-[2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]azepane
1-[2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]azepane
Compound characteristics
| Compound ID: | C360-0144 |
| Compound Name: | 1-[2-(2-methylphenyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-yl]azepane |
| Molecular Weight: | 317.35 |
| Molecular Formula: | C15 H19 N5 O3 |
| Smiles: | Cc1ccccc1n1nc(c(N2CCCCCC2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5557 |
| logD: | 3.5557 |
| logSw: | -3.6384 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.787 |
| InChI Key: | GBMPQJHWGYGKRK-UHFFFAOYSA-N |