ethyl 4-[2-({N-[(2H-1,3-benzodioxol-5-yl)methyl]glycyl}amino)-5-nitrobenzamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-({N-[(2H-1,3-benzodioxol-5-yl)methyl]glycyl}amino)-5-nitrobenzamido]benzoate
ethyl 4-[2-({N-[(2H-1,3-benzodioxol-5-yl)methyl]glycyl}amino)-5-nitrobenzamido]benzoate
Compound characteristics
| Compound ID: | C284-0149 |
| Compound Name: | ethyl 4-[2-({N-[(2H-1,3-benzodioxol-5-yl)methyl]glycyl}amino)-5-nitrobenzamido]benzoate |
| Molecular Weight: | 520.5 |
| Molecular Formula: | C26 H24 N4 O8 |
| Smiles: | CCOC(c1ccc(cc1)NC(c1cc(ccc1NC(CNCc1ccc2c(c1)OCO2)=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4976 |
| logD: | 3.0808 |
| logSw: | -3.8188 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 128.798 |
| InChI Key: | OBIKCKOVPXGQPC-UHFFFAOYSA-N |