N-[2-(1H-benzimidazol-2-yl)ethyl]-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | L850-1676 |
| Compound Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-2-({4-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C23 H22 N8 O2 S |
| Smiles: | Cc1ccc(cc1)c1nc(c2nnc(n2C)SCC(NCCc2nc3ccccc3[nH]2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.2457 |
| logD: | 3.2322 |
| logSw: | -3.4098 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.323 |
| InChI Key: | FWGPSVUPIUTVAH-UHFFFAOYSA-N |