methyl 4-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoate
methyl 4-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
Compound ID: | 4169-2480 |
Compound Name: | methyl 4-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoate |
Molecular Weight: | 362.4 |
Molecular Formula: | C21 H14 O4 S |
Smiles: | COC(c1ccc(cc1)c1ccc(/C=C2/C(c3ccccc3S2)=O)o1)=O |
Stereo: | ACHIRAL |
logP: | 5.3141 |
logD: | 5.3141 |
logSw: | -5.4208 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 42.144 |
InChI Key: | PHDYKDZKLTVFIC-UHFFFAOYSA-N |