N-[3-anilino-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-bromo-5-methoxybenzamide
Chemical Structure Depiction of
N-[3-anilino-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-bromo-5-methoxybenzamide
N-[3-anilino-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-bromo-5-methoxybenzamide
Compound characteristics
| Compound ID: | 2628-3280 |
| Compound Name: | N-[3-anilino-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-bromo-5-methoxybenzamide |
| Molecular Weight: | 496.32 |
| Molecular Formula: | C23 H18 Br N3 O5 |
| Smiles: | COc1ccc(c(c1)C(NC(=C\c1cccc(c1)[N+]([O-])=O)\C(Nc1ccccc1)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.512 |
| logD: | 4.2231 |
| logSw: | -4.4972 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.179 |
| InChI Key: | FRTNIPJYTTUWKB-UHFFFAOYSA-N |