4-[(3-bromophenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(3-bromophenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(3-bromophenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-1532 |
| Compound Name: | 4-[(3-bromophenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 387.19 |
| Molecular Formula: | C17 H11 Br N2 O4 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C1=NC(=C\c2cccc(c2)[Br])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.2625 |
| logD: | 4.2625 |
| logSw: | -4.6022 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.456 |
| InChI Key: | ANIIAKAJRMXYCW-UHFFFAOYSA-N |