methyl 3-[4-(3-chlorophenyl)piperazine-1-sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[4-(3-chlorophenyl)piperazine-1-sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylate
methyl 3-[4-(3-chlorophenyl)piperazine-1-sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0227 |
| Compound Name: | methyl 3-[4-(3-chlorophenyl)piperazine-1-sulfonyl]-4-fluoro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 468.95 |
| Molecular Formula: | C20 H18 Cl F N2 O4 S2 |
| Smiles: | COC(c1c(c2c(cccc2s1)F)S(N1CCN(CC1)c1cccc(c1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4017 |
| logD: | 4.4017 |
| logSw: | -4.6316 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.13 |
| InChI Key: | VOMPDBCGXJNEIO-UHFFFAOYSA-N |