4-[(4-bromothiophen-2-yl)methylidene]-2-(4-butylphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-bromothiophen-2-yl)methylidene]-2-(4-butylphenyl)-1,3-oxazol-5(4H)-one
4-[(4-bromothiophen-2-yl)methylidene]-2-(4-butylphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-0056 |
| Compound Name: | 4-[(4-bromothiophen-2-yl)methylidene]-2-(4-butylphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 390.3 |
| Molecular Formula: | C18 H16 Br N O2 S |
| Smiles: | CCCCc1ccc(cc1)C1=NC(=C/c2cc(cs2)[Br])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.8432 |
| logD: | 5.8432 |
| logSw: | -5.4382 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.394 |
| InChI Key: | IUQASEBHULXFPV-UHFFFAOYSA-N |