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 |