N-[3-(3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide
Chemical Structure Depiction of
N-[3-(3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide
N-[3-(3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide
Compound characteristics
| Compound ID: | 2733-3862 |
| Compound Name: | N-[3-(3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide |
| Molecular Weight: | 438.44 |
| Molecular Formula: | C22 H22 N4 O6 |
| Smiles: | C1CCC(CC1)C(NC(=C/c1cccc(c1)[N+]([O-])=O)\C(Nc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4454 |
| logD: | 3.6209 |
| logSw: | -4.3676 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.209 |
| InChI Key: | XDDSFFCXQYTEHO-UHFFFAOYSA-N |