2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate
2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate
Compound characteristics
Compound ID: | 3237-0099 |
Compound Name: | 2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate |
Molecular Weight: | 448.49 |
Molecular Formula: | C25 H20 O6 S |
Smiles: | COc1cc(cc(c1OC)OC)C(=O)Oc1ccccc1/C=C1/C(c2ccccc2S1)=O |
Stereo: | ACHIRAL |
logP: | 4.5281 |
logD: | 4.5281 |
logSw: | -4.6555 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 56.842 |
InChI Key: | QFUAEIUSOXUDQZ-UHFFFAOYSA-N |