N-[3-(4-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide
Chemical Structure Depiction of
N-[3-(4-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide
N-[3-(4-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]cyclohexanecarboxamide
Compound characteristics
| Compound ID: | 2733-3855 |
| Compound Name: | N-[3-(4-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(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2115 |
| logD: | 4.9313 |
| logSw: | -5.2785 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.828 |
| InChI Key: | HBKOVKPXKJAZCS-ZHZULCJRSA-N |