2-(4-chlorophenyl)-N-(3-ethoxypropyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-(3-ethoxypropyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
2-(4-chlorophenyl)-N-(3-ethoxypropyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
Compound ID: | C301-0766 |
Compound Name: | 2-(4-chlorophenyl)-N-(3-ethoxypropyl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
Molecular Weight: | 341.75 |
Molecular Formula: | C13 H16 Cl N5 O4 |
Smiles: | CCOCCCNc1c(nn(c2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 2.5797 |
logD: | 2.5797 |
logSw: | -3.3939 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 85.496 |
InChI Key: | RPTCLISTXRGDBG-UHFFFAOYSA-N |