3-nitro-N-[2,2,2-trichloro-1-(4-nitroanilino)ethyl]benzamide
Chemical Structure Depiction of
3-nitro-N-[2,2,2-trichloro-1-(4-nitroanilino)ethyl]benzamide
3-nitro-N-[2,2,2-trichloro-1-(4-nitroanilino)ethyl]benzamide
Compound characteristics
| Compound ID: | 1491-0186 |
| Compound Name: | 3-nitro-N-[2,2,2-trichloro-1-(4-nitroanilino)ethyl]benzamide |
| Molecular Weight: | 433.63 |
| Molecular Formula: | C15 H11 Cl3 N4 O5 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C(NC(C([Cl])([Cl])[Cl])Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0624 |
| logD: | 3.0197 |
| logSw: | -4.511 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.213 |
| InChI Key: | ZYESANJYRLXNOG-CQSZACIVSA-N |