methyl 2-[2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | L850-1495 |
| Compound Name: | methyl 2-[2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C22 H20 N6 O4 S |
| Smiles: | Cc1ccc(cc1)c1nc(c2nnc(n2C)SCC(Nc2ccccc2C(=O)OC)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.6365 |
| logD: | 3.6227 |
| logSw: | -3.9243 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.354 |
| InChI Key: | NKWKGFSQCQZLFQ-UHFFFAOYSA-N |