N-(2-chloro-5-nitrophenyl)-3,4,5-triethoxybenzamide
Chemical Structure Depiction of
N-(2-chloro-5-nitrophenyl)-3,4,5-triethoxybenzamide
N-(2-chloro-5-nitrophenyl)-3,4,5-triethoxybenzamide
Compound characteristics
Compound ID: | Y032-0353 |
Compound Name: | N-(2-chloro-5-nitrophenyl)-3,4,5-triethoxybenzamide |
Molecular Weight: | 408.84 |
Molecular Formula: | C19 H21 Cl N2 O6 |
Smiles: | CCOc1cc(cc(c1OCC)OCC)C(Nc1cc(ccc1[Cl])[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.1549 |
logD: | 4.0942 |
logSw: | -4.5361 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.731 |
InChI Key: | LFHLAWDENFHEJU-UHFFFAOYSA-N |