4-{3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl 4-bromobenzoate
Chemical Structure Depiction of
4-{3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl 4-bromobenzoate
4-{3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl 4-bromobenzoate
Compound characteristics
| Compound ID: | 8013-9479 |
| Compound Name: | 4-{3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl 4-bromobenzoate |
| Molecular Weight: | 549.73 |
| Molecular Formula: | C24 H13 Br Cl F3 N2 O3 |
| Smiles: | C(=C(/C#N)C(Nc1cc(ccc1[Cl])C(F)(F)F)=O)/c1ccc(cc1)OC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.9045 |
| logD: | 5.1429 |
| logSw: | -6.8486 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.066 |
| InChI Key: | OYWSSIUAHSXVSG-UHFFFAOYSA-N |