2-[7-(4-bromophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-ylidene]-2-cyanoacetamide
					Chemical Structure Depiction of
2-[7-(4-bromophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-ylidene]-2-cyanoacetamide
			2-[7-(4-bromophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-ylidene]-2-cyanoacetamide
Compound characteristics
| Compound ID: | 5786-2387 | 
| Compound Name: | 2-[7-(4-bromophenyl)-5-hydroxy-2H-1,3-benzoxathiol-2-ylidene]-2-cyanoacetamide | 
| Molecular Weight: | 389.22 | 
| Molecular Formula: | C16 H9 Br N2 O3 S | 
| Smiles: | C(\C(=C1/Oc2c(cc(cc2S1)O)c1ccc(cc1)[Br])C(N)=O)#N | 
| Stereo: | ACHIRAL | 
| logP: | 3.5297 | 
| logD: | 3.5294 | 
| logSw: | -3.9154 | 
| Hydrogen bond acceptors count: | 6 | 
| Hydrogen bond donors count: | 3 | 
| Polar surface area: | 78.262 | 
| InChI Key: | JVYOQOVUZGTKNV-UHFFFAOYSA-N | 
 
				 
				