4-[(4-bromothiophen-2-yl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-bromothiophen-2-yl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(4-bromothiophen-2-yl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-2625 |
| Compound Name: | 4-[(4-bromothiophen-2-yl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 393.21 |
| Molecular Formula: | C15 H9 Br N2 O4 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C1=NC(=C\c2cc(cs2)[Br])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.1963 |
| logD: | 4.1963 |
| logSw: | -4.5029 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.475 |
| InChI Key: | KCLVOBJFLPTDNZ-UHFFFAOYSA-N |