4-[(3-bromophenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(3-bromophenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(3-bromophenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2125-0433 |
| Compound Name: | 4-[(3-bromophenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 418.24 |
| Molecular Formula: | C19 H16 Br N O5 |
| Smiles: | COc1cc(cc(c1OC)OC)C1=NC(=C/c2cccc(c2)[Br])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.7121 |
| logD: | 3.7121 |
| logSw: | -4.1589 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.354 |
| InChI Key: | WBHWBFCILFHKFA-UHFFFAOYSA-N |