ethyl (2E)-2-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Chemical Structure Depiction of
ethyl (2E)-2-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
ethyl (2E)-2-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Compound characteristics
| Compound ID: | Y501-8830 |
| Compound Name: | ethyl (2E)-2-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate |
| Molecular Weight: | 520.99 |
| Molecular Formula: | C27 H21 Cl N2 O5 S |
| Smiles: | CCOC(C1C2c3ccccc3OC1(C)N=C1N2C(/C(=C\c2ccc(c3cccc(c3)[Cl])o2)S1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0325 |
| logD: | 5.8431 |
| logSw: | -5.9937 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.716 |
| InChI Key: | IAQJWOBMWFYWCP-UHFFFAOYSA-N |