4-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-bromobenzoate
Chemical Structure Depiction of
4-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-bromobenzoate
4-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-bromobenzoate
Compound characteristics
| Compound ID: | 8013-9582 |
| Compound Name: | 4-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-en-1-yl]phenyl 4-bromobenzoate |
| Molecular Weight: | 465.28 |
| Molecular Formula: | C23 H14 Br F N2 O3 |
| Smiles: | C(=C(/C#N)C(Nc1ccc(cc1)F)=O)/c1ccc(cc1)OC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5104 |
| logD: | 5.4378 |
| logSw: | -5.9316 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.764 |
| InChI Key: | APQQLOVCZHEHIR-UHFFFAOYSA-N |