2-[2-(4-chlorophenoxy)acetamido]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-[2-(4-chlorophenoxy)acetamido]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[2-(4-chlorophenoxy)acetamido]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y070-4459 |
| Compound Name: | 2-[2-(4-chlorophenoxy)acetamido]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 497.03 |
| Molecular Formula: | C22 H25 Cl N2 O5 S2 |
| Smiles: | CC1CCc2c(C(NC3CCS(C3)(=O)=O)=O)c(NC(COc3ccc(cc3)[Cl])=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2494 |
| logD: | 2.5148 |
| logSw: | -4.1377 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.906 |
| InChI Key: | YYSQXSAOQGTZRQ-UHFFFAOYSA-N |