2-(5-bromopyridin-3-yl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(5-bromopyridin-3-yl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
2-(5-bromopyridin-3-yl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K074-0625 |
| Compound Name: | 2-(5-bromopyridin-3-yl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 374.15 |
| Molecular Formula: | C15 H8 Br N3 O4 |
| Smiles: | C(=C1/C(=O)OC(c2cc(cnc2)[Br])=N1)\c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0695 |
| logD: | 3.0695 |
| logSw: | -3.3438 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.365 |
| InChI Key: | RILGUDAGEQAKDQ-UHFFFAOYSA-N |