2-(1,3-benzothiazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 1804-0136 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enenitrile |
| Molecular Weight: | 331.22 |
| Molecular Formula: | C16 H8 Cl2 N2 S |
| Smiles: | C(=C(/C#N)c1nc2ccccc2s1)/c1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8134 |
| logD: | 5.8134 |
| logSw: | -6.2029 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 26.7435 |
| InChI Key: | JZGXXEIUYWVSEL-UHFFFAOYSA-N |