methyl 3-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylate
methyl 3-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0245 |
| Compound Name: | methyl 3-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 462.56 |
| Molecular Formula: | C22 H23 F N2 O4 S2 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)S(c1c2c(cccc2sc1C(=O)OC)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9416 |
| logD: | 4.9416 |
| logSw: | -4.8746 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.829 |
| InChI Key: | CCBRXSHUWBRQFV-UHFFFAOYSA-N |