2-({N-[(2H-1,3-benzodioxol-5-yl)methyl]glycyl}amino)-N-(3,5-dimethoxyphenyl)-5-nitrobenzamide
Chemical Structure Depiction of
2-({N-[(2H-1,3-benzodioxol-5-yl)methyl]glycyl}amino)-N-(3,5-dimethoxyphenyl)-5-nitrobenzamide
2-({N-[(2H-1,3-benzodioxol-5-yl)methyl]glycyl}amino)-N-(3,5-dimethoxyphenyl)-5-nitrobenzamide
Compound characteristics
| Compound ID: | C284-0147 |
| Compound Name: | 2-({N-[(2H-1,3-benzodioxol-5-yl)methyl]glycyl}amino)-N-(3,5-dimethoxyphenyl)-5-nitrobenzamide |
| Molecular Weight: | 508.49 |
| Molecular Formula: | C25 H24 N4 O8 |
| Smiles: | COc1cc(cc(c1)OC)NC(c1cc(ccc1NC(CNCc1ccc2c(c1)OCO2)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0353 |
| logD: | 2.6185 |
| logSw: | -3.491 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.132 |
| InChI Key: | ATBJQJUCYBKYJX-UHFFFAOYSA-N |