methyl 5-(2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-2-chlorobenzoate
Chemical Structure Depiction of
methyl 5-(2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-2-chlorobenzoate
methyl 5-(2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-2-chlorobenzoate
Compound characteristics
| Compound ID: | J047-0015 |
| Compound Name: | methyl 5-(2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-2-chlorobenzoate |
| Molecular Weight: | 456.91 |
| Molecular Formula: | C21 H17 Cl N4 O4 S |
| Smiles: | Cn1c(c2cc3ccccc3o2)nnc1SCC(Nc1ccc(c(c1)C(=O)OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5395 |
| logD: | 4.5391 |
| logSw: | -4.6911 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.667 |
| InChI Key: | KYDUIJZFHJGAEM-UHFFFAOYSA-N |