2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chloropyridine-3-carboxylate
Chemical Structure Depiction of
2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chloropyridine-3-carboxylate
2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chloropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 3237-0094 |
| Compound Name: | 2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-chloropyridine-3-carboxylate |
| Molecular Weight: | 393.85 |
| Molecular Formula: | C21 H12 Cl N O3 S |
| Smiles: | C(=C1/C(c2ccccc2S1)=O)\c1ccccc1OC(c1cccnc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.673 |
| logD: | 4.673 |
| logSw: | -5.0504 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.55 |
| InChI Key: | RKCWBONJWAUHLA-UHFFFAOYSA-N |