3,5-dinitro-N-[2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide
Chemical Structure Depiction of
3,5-dinitro-N-[2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide
3,5-dinitro-N-[2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide
Compound characteristics
| Compound ID: | 1501-0491 |
| Compound Name: | 3,5-dinitro-N-[2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide |
| Molecular Weight: | 463.66 |
| Molecular Formula: | C16 H13 Cl3 N4 O6 |
| Smiles: | COc1ccc(cc1)NC(C([Cl])([Cl])[Cl])NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1378 |
| logD: | 1.9953 |
| logSw: | -4.6596 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.757 |
| InChI Key: | KQQIKWSTWHWFTQ-OAHLLOKOSA-N |