2-(4-chlorophenyl)-5-nitro-3-oxo-N-[4-(propan-2-yl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(4-chlorophenyl)-5-nitro-3-oxo-N-[4-(propan-2-yl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
2-(4-chlorophenyl)-5-nitro-3-oxo-N-[4-(propan-2-yl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
Compound ID: | C301-0392 |
Compound Name: | 2-(4-chlorophenyl)-5-nitro-3-oxo-N-[4-(propan-2-yl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine |
Molecular Weight: | 373.8 |
Molecular Formula: | C17 H16 Cl N5 O3 |
Smiles: | CC(C)c1ccc(cc1)Nc1c(nn(c2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 4.9291 |
logD: | 4.9291 |
logSw: | -5.2569 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.084 |
InChI Key: | VBISYSKVWMXSNN-UHFFFAOYSA-N |