N-[3-(2-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide
Chemical Structure Depiction of
N-[3-(2-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide
N-[3-(2-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide
Compound characteristics
| Compound ID: | 2733-3854 |
| Compound Name: | N-[3-(2-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide |
| Molecular Weight: | 472.34 |
| Molecular Formula: | C22 H22 Br N3 O4 |
| Smiles: | C1CCC(CC1)C(NC(=C/c1cccc(c1)[N+]([O-])=O)\C(Nc1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8386 |
| logD: | 4.6517 |
| logSw: | -4.7729 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.13 |
| InChI Key: | UGCZKHBIKQOHJW-UHFFFAOYSA-N |