N-(4-chloro-2-fluorophenyl)-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-(4-chloro-2-fluorophenyl)-2-({4-ethyl-5-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-chloro-2-fluorophenyl)-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: | L849-0793 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-({4-ethyl-5-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 488.95 |
| Molecular Formula: | C22 H19 Cl F2 N6 O S |
| Smiles: | CCn1c(c2cn(C)nc2c2ccc(cc2)F)nnc1SCC(Nc1ccc(cc1F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1031 |
| logD: | 4.0948 |
| logSw: | -4.4584 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.501 |
| InChI Key: | FSVFDXHCDQAMQX-UHFFFAOYSA-N |