methyl 3-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
methyl 3-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0074 |
| Compound Name: | methyl 3-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C18 H18 N4 O4 S2 |
| Smiles: | COC(c1c(c2ccccc2s1)S(N1CCN(CC1)c1ncccn1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8322 |
| logD: | 2.8322 |
| logSw: | -3.1451 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.493 |
| InChI Key: | XUMDQGZMRYNJKT-UHFFFAOYSA-N |