4-bromo-N-[1-(2-fluorophenyl)-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
4-bromo-N-[1-(2-fluorophenyl)-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide
4-bromo-N-[1-(2-fluorophenyl)-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2339-2251 |
| Compound Name: | 4-bromo-N-[1-(2-fluorophenyl)-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 498.31 |
| Molecular Formula: | C23 H17 Br F N3 O4 |
| Smiles: | Cc1ccc(cc1NC(/C(=C/c1ccccc1F)NC(c1ccc(cc1)[Br])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2497 |
| logD: | 4.2976 |
| logSw: | -5.0858 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.938 |
| InChI Key: | KYWSMOJVHOGJOT-UHFFFAOYSA-N |