6-bromo-3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
6-bromo-3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-1053 |
| Compound Name: | 6-bromo-3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 429.27 |
| Molecular Formula: | C21 H17 Br O5 |
| Smiles: | CCOc1ccc(/C=C/C(C2=Cc3cc(ccc3OC2=O)[Br])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.4214 |
| logD: | 4.4214 |
| logSw: | -4.5187 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.976 |
| InChI Key: | OKVWRUZEUAUSEA-UHFFFAOYSA-N |