5-bromo-2-methoxy-N-[3-(3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
5-bromo-2-methoxy-N-[3-(3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
5-bromo-2-methoxy-N-[3-(3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2733-3726 |
| Compound Name: | 5-bromo-2-methoxy-N-[3-(3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 510.34 |
| Molecular Formula: | C24 H20 Br N3 O5 |
| Smiles: | Cc1cccc(c1)NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1cc(ccc1OC)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3037 |
| logD: | 3.4727 |
| logSw: | -5.4011 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.266 |
| InChI Key: | CTEDOOGFHXUGAG-UHFFFAOYSA-N |