2-[4-(6,8-dichloro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-[4-(6,8-dichloro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile
2-[4-(6,8-dichloro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 3448-5796 |
| Compound Name: | 2-[4-(6,8-dichloro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-(4-hydroxyphenyl)prop-2-enenitrile |
| Molecular Weight: | 441.29 |
| Molecular Formula: | C21 H10 Cl2 N2 O3 S |
| Smiles: | C(=C(/C#N)c1nc(cs1)C1=Cc2cc(cc(c2OC1=O)[Cl])[Cl])/c1ccc(cc1)O |
| Stereo: | ACHIRAL |
| logP: | 5.6205 |
| logD: | 5.6181 |
| logSw: | -5.7063 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.98 |
| InChI Key: | YWDGZJALNFKHBC-UHFFFAOYSA-N |