2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y070-1102 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C25 H21 N O4 S |
| Smiles: | CCOc1ccc(cc1)C(/C(=C\c1ccc(c(c1)OC)O)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6088 |
| logD: | 5.6039 |
| logSw: | -5.3327 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.457 |
| InChI Key: | USEKHNLHXVKRKA-UHFFFAOYSA-N |