2-(4-butoxyphenyl)-4-{[3-(trifluoromethyl)anilino]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-butoxyphenyl)-4-{[3-(trifluoromethyl)anilino]methylidene}-1,3-oxazol-5(4H)-one
2-(4-butoxyphenyl)-4-{[3-(trifluoromethyl)anilino]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0985 |
| Compound Name: | 2-(4-butoxyphenyl)-4-{[3-(trifluoromethyl)anilino]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 404.39 |
| Molecular Formula: | C21 H19 F3 N2 O3 |
| Smiles: | CCCCOc1ccc(cc1)C1=NC(=C/Nc2cccc(c2)C(F)(F)F)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.3969 |
| logD: | 5.3917 |
| logSw: | -5.3824 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.394 |
| InChI Key: | GIEMBRSILBAMPF-UHFFFAOYSA-N |