N-[1-(4-bromophenyl)-3-(methylamino)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[1-(4-bromophenyl)-3-(methylamino)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
N-[1-(4-bromophenyl)-3-(methylamino)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 1309-2195 |
| Compound Name: | N-[1-(4-bromophenyl)-3-(methylamino)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide |
| Molecular Weight: | 404.22 |
| Molecular Formula: | C17 H14 Br N3 O4 |
| Smiles: | CNC(/C(=C\c1ccc(cc1)[Br])NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0515 |
| logD: | 1.8293 |
| logSw: | -3.5991 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.38 |
| InChI Key: | NRYXYKSVAFFBCD-XNTDXEJSSA-N |