ethyl 3-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
ethyl 3-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0159 |
| Compound Name: | ethyl 3-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C23 H26 N2 O4 S2 |
| Smiles: | CCOC(c1c(c2ccccc2s1)S(N1CCN(CC1)c1cc(C)ccc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2452 |
| logD: | 5.2452 |
| logSw: | -5.3175 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.409 |
| InChI Key: | RKTLUBPSBWAAKJ-UHFFFAOYSA-N |