2-({N-[(2H-1,3-benzodioxol-5-yl)methyl]glycyl}amino)-N-(2,4-dimethoxyphenyl)-5-nitrobenzamide
Chemical Structure Depiction of
2-({N-[(2H-1,3-benzodioxol-5-yl)methyl]glycyl}amino)-N-(2,4-dimethoxyphenyl)-5-nitrobenzamide
2-({N-[(2H-1,3-benzodioxol-5-yl)methyl]glycyl}amino)-N-(2,4-dimethoxyphenyl)-5-nitrobenzamide
Compound characteristics
| Compound ID: | C284-0146 |
| Compound Name: | 2-({N-[(2H-1,3-benzodioxol-5-yl)methyl]glycyl}amino)-N-(2,4-dimethoxyphenyl)-5-nitrobenzamide |
| Molecular Weight: | 508.49 |
| Molecular Formula: | C25 H24 N4 O8 |
| Smiles: | COc1ccc(c(c1)OC)NC(c1cc(ccc1NC(CNCc1ccc2c(c1)OCO2)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8396 |
| logD: | 2.4229 |
| logSw: | -3.5184 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.52 |
| InChI Key: | VQENWGDLPQSZBD-UHFFFAOYSA-N |