2-bromo-N-{1-(3-nitrophenyl)-3-[4-(octyloxy)anilino]-3-oxoprop-1-en-2-yl}benzamide
Chemical Structure Depiction of
2-bromo-N-{1-(3-nitrophenyl)-3-[4-(octyloxy)anilino]-3-oxoprop-1-en-2-yl}benzamide
2-bromo-N-{1-(3-nitrophenyl)-3-[4-(octyloxy)anilino]-3-oxoprop-1-en-2-yl}benzamide
Compound characteristics
| Compound ID: | 2447-2762 |
| Compound Name: | 2-bromo-N-{1-(3-nitrophenyl)-3-[4-(octyloxy)anilino]-3-oxoprop-1-en-2-yl}benzamide |
| Molecular Weight: | 594.51 |
| Molecular Formula: | C30 H32 Br N3 O5 |
| Smiles: | CCCCCCCCOc1ccc(cc1)NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8631 |
| logD: | 7.1794 |
| logSw: | -5.7069 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.053 |
| InChI Key: | PBGKUXNTJOWBAN-UHFFFAOYSA-N |