2-bromo-N-[3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
2-bromo-N-[3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
2-bromo-N-[3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2628-3297 |
| Compound Name: | 2-bromo-N-[3-(cyclohexylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 472.34 |
| Molecular Formula: | C22 H22 Br N3 O4 |
| Smiles: | C1CCC(CC1)NC(/C(=C\c1ccc(cc1)[N+]([O-])=O)NC(c1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4507 |
| logD: | 2.5234 |
| logSw: | -4.4924 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.683 |
| InChI Key: | PRSKMRRUJFGLIW-UHFFFAOYSA-N |