N-[1-(4-bromophenyl)-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Chemical Structure Depiction of
N-[1-(4-bromophenyl)-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
N-[1-(4-bromophenyl)-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Compound characteristics
| Compound ID: | 2447-2637 |
| Compound Name: | N-[1-(4-bromophenyl)-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide |
| Molecular Weight: | 494.34 |
| Molecular Formula: | C24 H20 Br N3 O4 |
| Smiles: | Cc1ccc(cc1)C(NC(=C/c1ccc(cc1)[Br])\C(Nc1cc(ccc1C)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5266 |
| logD: | 5.2445 |
| logSw: | -5.4161 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.938 |
| InChI Key: | XNJYIHVMAMNNEW-UHFFFAOYSA-N |