methyl 3-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylate
methyl 3-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0239 |
| Compound Name: | methyl 3-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 476.54 |
| Molecular Formula: | C22 H21 F N2 O5 S2 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)S(c1c2c(cccc2sc1C(=O)OC)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4817 |
| logD: | 3.4817 |
| logSw: | -3.8475 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.957 |
| InChI Key: | YNYLBBOBRDPWDR-UHFFFAOYSA-N |