4-[(4-bromothiophen-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-bromothiophen-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(4-bromothiophen-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
Compound ID: | K074-6590 |
Compound Name: | 4-[(4-bromothiophen-2-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one |
Molecular Weight: | 379.19 |
Molecular Formula: | C14 H7 Br N2 O4 S |
Smiles: | C(=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1)/c1cc(cs1)[Br] |
Stereo: | ACHIRAL |
logP: | 3.7996 |
logD: | 3.7996 |
logSw: | -4.2204 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 64.775 |
InChI Key: | PQNHSYICJWPYKH-UHFFFAOYSA-N |