methyl 3-[4-(pyridin-2-yl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[4-(pyridin-2-yl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
methyl 3-[4-(pyridin-2-yl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0063 |
| Compound Name: | methyl 3-[4-(pyridin-2-yl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C19 H19 N3 O4 S2 |
| Smiles: | COC(c1c(c2ccccc2s1)S(N1CCN(CC1)c1ccccn1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3352 |
| logD: | 3.3109 |
| logSw: | -3.4871 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.642 |
| InChI Key: | PHXNWVRMWZCADX-UHFFFAOYSA-N |