4-bromo-2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-bromo-2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl thiophene-2-carboxylate
4-bromo-2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | IB07-9838 |
| Compound Name: | 4-bromo-2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl thiophene-2-carboxylate |
| Molecular Weight: | 473.34 |
| Molecular Formula: | C22 H17 Br O5 S |
| Smiles: | COc1ccc(/C=C/C(c2cc(ccc2OC(c2cccs2)=O)[Br])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.49 |
| logD: | 5.49 |
| logSw: | -6.76 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 77.35 |
| InChI Key: | GFMHZQBTMCSUNZ-UHFFFAOYSA-N |