methyl 3-(4'-carbamoyl[1,4'-bipiperidine]-1'-sulfonyl)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(4'-carbamoyl[1,4'-bipiperidine]-1'-sulfonyl)-1-benzothiophene-2-carboxylate
methyl 3-(4'-carbamoyl[1,4'-bipiperidine]-1'-sulfonyl)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0066 |
| Compound Name: | methyl 3-(4'-carbamoyl[1,4'-bipiperidine]-1'-sulfonyl)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 465.59 |
| Molecular Formula: | C21 H27 N3 O5 S2 |
| Smiles: | COC(c1c(c2ccccc2s1)S(N1CCC(CC1)(C(N)=O)N1CCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7885 |
| logD: | 2.555 |
| logSw: | -3.1579 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.006 |
| InChI Key: | RJEDLDLQIZJYIV-UHFFFAOYSA-N |