N-[3-(4-bromo-3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide
Chemical Structure Depiction of
N-[3-(4-bromo-3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide
N-[3-(4-bromo-3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide
Compound characteristics
| Compound ID: | 2733-3828 |
| Compound Name: | N-[3-(4-bromo-3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide |
| Molecular Weight: | 486.36 |
| Molecular Formula: | C23 H24 Br N3 O4 |
| Smiles: | Cc1cc(ccc1[Br])NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5522 |
| logD: | 5.3461 |
| logSw: | -5.3023 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.828 |
| InChI Key: | PCOFEXQQMSBWKS-UHFFFAOYSA-N |