4,4,4-trichloro-1-(4-nitrophenyl)-3-{[(4-nitrophenyl)methylidene]amino}butan-1-one
Chemical Structure Depiction of
4,4,4-trichloro-1-(4-nitrophenyl)-3-{[(4-nitrophenyl)methylidene]amino}butan-1-one
4,4,4-trichloro-1-(4-nitrophenyl)-3-{[(4-nitrophenyl)methylidene]amino}butan-1-one
Compound characteristics
| Compound ID: | 0330-0087 |
| Compound Name: | 4,4,4-trichloro-1-(4-nitrophenyl)-3-{[(4-nitrophenyl)methylidene]amino}butan-1-one |
| Molecular Weight: | 444.66 |
| Molecular Formula: | C17 H12 Cl3 N3 O5 |
| Smiles: | C(C(C([Cl])([Cl])[Cl])/N=C/c1ccc(cc1)[N+]([O-])=O)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8587 |
| logD: | 4.839 |
| logSw: | -5.2935 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.328 |
| InChI Key: | UATKMMKWSZSPTD-CTJICSLTSA-N |