N-[3-(4-chloro-3-nitroanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[3-(4-chloro-3-nitroanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
N-[3-(4-chloro-3-nitroanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | 2535-3044 |
| Compound Name: | N-[3-(4-chloro-3-nitroanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide |
| Molecular Weight: | 469.86 |
| Molecular Formula: | C23 H17 Cl F N3 O5 |
| Smiles: | COc1ccc(cc1)C(NC(=C/c1ccc(cc1)F)\C(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5614 |
| logD: | 3.029 |
| logSw: | -4.8559 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.879 |
| InChI Key: | MYNNSNXYIVCYNC-UHFFFAOYSA-N |