2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 5-nitrofuran-2-carboxylate
Chemical Structure Depiction of
2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 5-nitrofuran-2-carboxylate
2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 5-nitrofuran-2-carboxylate
Compound characteristics
| Compound ID: | 3237-0105 |
| Compound Name: | 2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 5-nitrofuran-2-carboxylate |
| Molecular Weight: | 393.37 |
| Molecular Formula: | C20 H11 N O6 S |
| Smiles: | C(=C1/C(c2ccccc2S1)=O)\c1ccccc1OC(c1ccc([N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1766 |
| logD: | 4.1766 |
| logSw: | -4.7718 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.525 |
| InChI Key: | KNGOFGMSEBGBGI-UHFFFAOYSA-N |