2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-2H-1,3-benzoxathiol-2-ylidene]acetamide
Chemical Structure Depiction of
2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-2H-1,3-benzoxathiol-2-ylidene]acetamide
2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-2H-1,3-benzoxathiol-2-ylidene]acetamide
Compound characteristics
| Compound ID: | 5786-2389 |
| Compound Name: | 2-cyano-2-[5-hydroxy-7-(4-nitrophenyl)-2H-1,3-benzoxathiol-2-ylidene]acetamide |
| Molecular Weight: | 355.33 |
| Molecular Formula: | C16 H9 N3 O5 S |
| Smiles: | C(\C(=C1/Oc2c(cc(cc2S1)O)c1ccc(cc1)[N+]([O-])=O)C(N)=O)#N |
| Stereo: | ACHIRAL |
| logP: | 2.6215 |
| logD: | 2.6211 |
| logSw: | -3.4041 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.643 |
| InChI Key: | BZVHWPKATSXWLL-UHFFFAOYSA-N |