methyl 4-chloro-3-[2-(4-chlorobenzene-1-sulfonyl)acetamido]-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 4-chloro-3-[2-(4-chlorobenzene-1-sulfonyl)acetamido]-1-benzothiophene-2-carboxylate
methyl 4-chloro-3-[2-(4-chlorobenzene-1-sulfonyl)acetamido]-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | C200-6227 |
| Compound Name: | methyl 4-chloro-3-[2-(4-chlorobenzene-1-sulfonyl)acetamido]-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 458.34 |
| Molecular Formula: | C18 H13 Cl2 N O5 S2 |
| Smiles: | COC(c1c(c2c(cccc2s1)[Cl])NC(CS(c1ccc(cc1)[Cl])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9251 |
| logD: | 3.5685 |
| logSw: | -4.2117 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.677 |
| InChI Key: | ZRMKUGOQUKUVKY-UHFFFAOYSA-N |