2-{[4-(benzyloxy)-2-bromo-5-methoxyphenyl]methylidene}-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-{[4-(benzyloxy)-2-bromo-5-methoxyphenyl]methylidene}-1-benzothiophen-3(2H)-one
2-{[4-(benzyloxy)-2-bromo-5-methoxyphenyl]methylidene}-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 3269-0359 |
| Compound Name: | 2-{[4-(benzyloxy)-2-bromo-5-methoxyphenyl]methylidene}-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 453.35 |
| Molecular Formula: | C23 H17 Br O3 S |
| Smiles: | COc1cc(/C=C2/C(c3ccccc3S2)=O)c(cc1OCc1ccccc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.3773 |
| logD: | 5.3773 |
| logSw: | -5.549 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 28.3445 |
| InChI Key: | IHSCSODIUGWXHA-UHFFFAOYSA-N |