2-(4-butylphenyl)-4-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-butylphenyl)-4-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-(4-butylphenyl)-4-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-0004 |
| Compound Name: | 2-(4-butylphenyl)-4-{[2-(trifluoromethyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 373.37 |
| Molecular Formula: | C21 H18 F3 N O2 |
| Smiles: | CCCCc1ccc(cc1)C1=NC(=C/c2ccccc2C(F)(F)F)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 6.1243 |
| logD: | 6.1243 |
| logSw: | -5.5058 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.3756 |
| InChI Key: | HHLDLORMVXBXQY-UHFFFAOYSA-N |