methyl 4-fluoro-3-[4-(pyridin-2-yl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 4-fluoro-3-[4-(pyridin-2-yl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
methyl 4-fluoro-3-[4-(pyridin-2-yl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0229 |
| Compound Name: | methyl 4-fluoro-3-[4-(pyridin-2-yl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 435.49 |
| Molecular Formula: | C19 H18 F N3 O4 S2 |
| Smiles: | COC(c1c(c2c(cccc2s1)F)S(N1CCN(CC1)c1ccccn1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4857 |
| logD: | 3.4614 |
| logSw: | -3.8948 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.642 |
| InChI Key: | ZCRWTNRJEOUGNG-UHFFFAOYSA-N |