ethyl 3-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylate
ethyl 3-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0325 |
| Compound Name: | ethyl 3-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 476.59 |
| Molecular Formula: | C23 H25 F N2 O4 S2 |
| Smiles: | CCOC(c1c(c2c(cccc2s1)F)S(N1CCN(CC1)c1cccc(C)c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3613 |
| logD: | 5.3613 |
| logSw: | -5.4665 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.409 |
| InChI Key: | CWFREDZQKZLWQE-UHFFFAOYSA-N |