methyl 1-({[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate
Chemical Structure Depiction of
methyl 1-({[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate
methyl 1-({[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | J047-0627 |
| Compound Name: | methyl 1-({[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxylate |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C26 H26 N4 O4 S |
| Smiles: | Cc1ccc(cc1)n1c(c2cc3ccccc3o2)nnc1SCC(N1CCC(CC1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4534 |
| logD: | 4.4534 |
| logSw: | -4.4218 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.572 |
| InChI Key: | IAAMBNPPBDEAEU-UHFFFAOYSA-N |