butyl 2-chloro-5-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
butyl 2-chloro-5-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoate
butyl 2-chloro-5-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 2082-0526 |
| Compound Name: | butyl 2-chloro-5-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 438.93 |
| Molecular Formula: | C24 H19 Cl O4 S |
| Smiles: | CCCCOC(c1cc(ccc1[Cl])c1ccc(/C=C2/C(c3ccccc3S2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3097 |
| logD: | 7.3097 |
| logSw: | -6.3833 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.018 |
| InChI Key: | HVYOIKYEKSBWKE-UHFFFAOYSA-N |