methyl 4-(4-methylphenyl)-3-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 4-(4-methylphenyl)-3-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thiophene-2-carboxylate
methyl 4-(4-methylphenyl)-3-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | G225-0480 |
| Compound Name: | methyl 4-(4-methylphenyl)-3-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thiophene-2-carboxylate |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C21 H22 N4 O4 S2 |
| Smiles: | Cc1ccc(cc1)c1csc(C(=O)OC)c1S(N1CCN(CC1)c1ncccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8571 |
| logD: | 3.8571 |
| logSw: | -3.8875 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.493 |
| InChI Key: | OCANFSMSRKOTOF-UHFFFAOYSA-N |