2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl benzoate
Chemical Structure Depiction of
2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl benzoate
2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl benzoate
Compound characteristics
| Compound ID: | 8008-9068 |
| Compound Name: | 2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl benzoate |
| Molecular Weight: | 358.41 |
| Molecular Formula: | C22 H14 O3 S |
| Smiles: | C(=C1/C(c2ccccc2S1)=O)\c1ccccc1OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9917 |
| logD: | 4.9917 |
| logSw: | -5.016 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 33.864 |
| InChI Key: | RWTIAVYPUHTIPX-UHFFFAOYSA-N |