2-(2-chloro-5-nitrophenyl)-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2-chloro-5-nitrophenyl)-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one
2-(2-chloro-5-nitrophenyl)-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
Compound ID: | 2192-1309 |
Compound Name: | 2-(2-chloro-5-nitrophenyl)-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one |
Molecular Weight: | 334.73 |
Molecular Formula: | C14 H7 Cl N2 O4 S |
Smiles: | C(=C1/C(=O)OC(c2cc(ccc2[Cl])[N+]([O-])=O)=N1)/c1cccs1 |
Stereo: | ACHIRAL |
logP: | 3.327 |
logD: | 3.327 |
logSw: | -4.0574 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 64.775 |
InChI Key: | BDDMBDVSYYMDQQ-UHFFFAOYSA-N |