2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3,4,5-trimethoxybenzoate
2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | 8012-9077 |
| Compound Name: | 2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 517.32 |
| Molecular Formula: | C21 H22 Cl2 N2 O9 |
| Smiles: | COc1cc(cc(c1OC)OC)C(=O)OCC(C(c1ccc(cc1)[N+]([O-])=O)O)NC(C([Cl])[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6166 |
| logD: | 2.6166 |
| logSw: | -3.1824 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.455 |
| InChI Key: | ZYWOLDMXWZUVKM-UHFFFAOYSA-N |