2-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8011-9774 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enenitrile |
| Molecular Weight: | 353.35 |
| Molecular Formula: | C17 H11 N3 O4 S |
| Smiles: | COc1cc(\C=C(/C#N)c2nc3ccccc3s2)cc(c1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0874 |
| logD: | 3.0134 |
| logSw: | -4.3576 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.934 |
| InChI Key: | KXSZSABXZNPBQV-UHFFFAOYSA-N |