2-(3-bromo-4-methoxyphenyl)-4-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(3-bromo-4-methoxyphenyl)-4-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-(3-bromo-4-methoxyphenyl)-4-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-3053 |
| Compound Name: | 2-(3-bromo-4-methoxyphenyl)-4-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 426.19 |
| Molecular Formula: | C18 H11 Br F3 N O3 |
| Smiles: | COc1ccc(cc1[Br])C1=NC(=C\c2ccccc2C(F)(F)F)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.7673 |
| logD: | 4.7673 |
| logSw: | -4.7256 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.006 |
| InChI Key: | RQLZGUXJRLCHHQ-UHFFFAOYSA-N |