2-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8008-8503 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile |
| Molecular Weight: | 337.35 |
| Molecular Formula: | C17 H11 N3 O3 S |
| Smiles: | COc1ccc(\C=C(/C#N)c2nc3ccccc3s2)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.035 |
| logD: | 4.035 |
| logSw: | -4.2631 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.455 |
| InChI Key: | SDZQNUYQWCPOGY-UHFFFAOYSA-N |