methyl 3-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
methyl 3-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0076 |
| Compound Name: | methyl 3-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 444.57 |
| Molecular Formula: | C22 H24 N2 O4 S2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)S(c1c2ccccc2sc1C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8255 |
| logD: | 4.8255 |
| logSw: | -4.864 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.829 |
| InChI Key: | FXMONIVXKKAXLM-UHFFFAOYSA-N |