2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-cyanophenyl)acetamide
Chemical Structure Depiction of
2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-cyanophenyl)acetamide
2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-cyanophenyl)acetamide
Compound characteristics
| Compound ID: | L849-0377 |
| Compound Name: | 2-({5-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-cyanophenyl)acetamide |
| Molecular Weight: | 477.97 |
| Molecular Formula: | C23 H20 Cl N7 O S |
| Smiles: | CCn1c(c2cn(C)nc2c2ccc(cc2)[Cl])nnc1SCC(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9078 |
| logD: | 3.9077 |
| logSw: | -4.3579 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.255 |
| InChI Key: | UPOALNTYSZXMNP-UHFFFAOYSA-N |