methyl 1-({[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate
Chemical Structure Depiction of
methyl 1-({[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate
methyl 1-({[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | J047-0472 |
| Compound Name: | methyl 1-({[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C20 H22 N4 O4 S |
| Smiles: | Cn1c(c2cc3ccccc3o2)nnc1SCC(N1CCC(CC1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4574 |
| logD: | 2.4574 |
| logSw: | -2.9869 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.91 |
| InChI Key: | POHBUPIVQPDKQZ-UHFFFAOYSA-N |