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 |