2-(1,3-benzothiazol-2-yl)-3-(5-bromo-3-chloro-2-hydroxyphenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-(5-bromo-3-chloro-2-hydroxyphenyl)prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-(5-bromo-3-chloro-2-hydroxyphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 1804-0002 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-(5-bromo-3-chloro-2-hydroxyphenyl)prop-2-enenitrile |
| Molecular Weight: | 391.67 |
| Molecular Formula: | C16 H8 Br Cl N2 O S |
| Smiles: | C(=C(/C#N)c1nc2ccccc2s1)/c1cc(cc(c1O)[Cl])[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.8823 |
| logD: | 5.2253 |
| logSw: | -5.8101 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.223 |
| InChI Key: | HIICRKRGBRUYKN-UHFFFAOYSA-N |