4-bromo-2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl propanoate
Chemical Structure Depiction of
4-bromo-2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl propanoate
4-bromo-2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl propanoate
Compound characteristics
| Compound ID: | 3237-0091 |
| Compound Name: | 4-bromo-2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl propanoate |
| Molecular Weight: | 389.27 |
| Molecular Formula: | C18 H13 Br O3 S |
| Smiles: | CCC(=O)Oc1ccc(cc1/C=C1/C(c2ccccc2S1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8211 |
| logD: | 4.8211 |
| logSw: | -4.6879 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 33.541 |
| InChI Key: | CADDMZOKBBAWIN-UHFFFAOYSA-N |