4-[(4-bromothiophen-2-yl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-bromothiophen-2-yl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(4-bromothiophen-2-yl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-0266 |
| Compound Name: | 4-[(4-bromothiophen-2-yl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 413.63 |
| Molecular Formula: | C14 H6 Br Cl N2 O4 S |
| Smiles: | C(=C1/C(=O)OC(c2ccc(cc2[Cl])[N+]([O-])=O)=N1)\c1cc(cs1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3079 |
| logD: | 4.3079 |
| logSw: | -4.7958 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.775 |
| InChI Key: | FUTMDTOKLIPHRU-UHFFFAOYSA-N |