N-(3-cyanophenyl)-2-({4-ethyl-5-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-({4-ethyl-5-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3-cyanophenyl)-2-({4-ethyl-5-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | L849-0912 |
| Compound Name: | N-(3-cyanophenyl)-2-({4-ethyl-5-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C23 H20 F N7 O S |
| Smiles: | CCn1c(c2cn(C)nc2c2ccc(cc2)F)nnc1SCC(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3422 |
| logD: | 3.3421 |
| logSw: | -3.5614 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.255 |
| InChI Key: | UMHWLZZZGSDNMG-UHFFFAOYSA-N |