2-{2-methoxy-4-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}-5-nitrobenzonitrile
Chemical Structure Depiction of
2-{2-methoxy-4-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}-5-nitrobenzonitrile
2-{2-methoxy-4-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}-5-nitrobenzonitrile
Compound characteristics
| Compound ID: | 8011-3191 |
| Compound Name: | 2-{2-methoxy-4-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}-5-nitrobenzonitrile |
| Molecular Weight: | 430.44 |
| Molecular Formula: | C23 H14 N2 O5 S |
| Smiles: | COc1cc(/C=C2/C(c3ccccc3S2)=O)ccc1Oc1ccc(cc1C#N)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9224 |
| logD: | 4.9224 |
| logSw: | -4.8185 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.389 |
| InChI Key: | MGBIFJBBQLLBCJ-UHFFFAOYSA-N |