2-({N-[(2H-1,3-benzodioxol-5-yl)methyl]glycyl}amino)-N-(3-methoxyphenyl)-5-nitrobenzamide
Chemical Structure Depiction of
2-({N-[(2H-1,3-benzodioxol-5-yl)methyl]glycyl}amino)-N-(3-methoxyphenyl)-5-nitrobenzamide
2-({N-[(2H-1,3-benzodioxol-5-yl)methyl]glycyl}amino)-N-(3-methoxyphenyl)-5-nitrobenzamide
Compound characteristics
| Compound ID: | C284-0145 |
| Compound Name: | 2-({N-[(2H-1,3-benzodioxol-5-yl)methyl]glycyl}amino)-N-(3-methoxyphenyl)-5-nitrobenzamide |
| Molecular Weight: | 478.46 |
| Molecular Formula: | C24 H22 N4 O7 |
| Smiles: | COc1cccc(c1)NC(c1cc(ccc1NC(CNCc1ccc2c(c1)OCO2)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9626 |
| logD: | 2.5459 |
| logSw: | -3.4889 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.588 |
| InChI Key: | GUFCLSCXGVHHQF-UHFFFAOYSA-N |