ethyl [9-(4-chlorophenyl)-2-oxo-5,6,7,8,8a,9-hexahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-3(4aH)-yl]acetate
Chemical Structure Depiction of
ethyl [9-(4-chlorophenyl)-2-oxo-5,6,7,8,8a,9-hexahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-3(4aH)-yl]acetate
ethyl [9-(4-chlorophenyl)-2-oxo-5,6,7,8,8a,9-hexahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-3(4aH)-yl]acetate
Compound characteristics
| Compound ID: | D057-0015 |
| Compound Name: | ethyl [9-(4-chlorophenyl)-2-oxo-5,6,7,8,8a,9-hexahydro-2H-5,8-methano[1]benzothiopyrano[2,3-d][1,3]thiazol-3(4aH)-yl]acetate |
| Molecular Weight: | 435.99 |
| Molecular Formula: | C21 H22 Cl N O3 S2 |
| Smiles: | CCOC(CN1C2=C(C(C3C4CCC(C4)C3S2)c2ccc(cc2)[Cl])SC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9341 |
| logD: | 5.9341 |
| logSw: | -6.3037 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 37.147 |
| InChI Key: | SHYRRKJDDPPDAL-UHFFFAOYSA-N |