2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl hexadecanoate
Chemical Structure Depiction of
2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl hexadecanoate
2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl hexadecanoate
Compound characteristics
| Compound ID: | 6465-0734 |
| Compound Name: | 2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl hexadecanoate |
| Molecular Weight: | 561.55 |
| Molecular Formula: | C27 H42 Cl2 N2 O6 |
| Smiles: | CCCCCCCCCCCCCCCC(=O)OCC(C(c1ccc(cc1)[N+]([O-])=O)O)NC(C([Cl])[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.2803 |
| logD: | 8.2803 |
| logSw: | -5.8475 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.154 |
| InChI Key: | PXKHGMGELZGJQE-UHFFFAOYSA-N |