2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluoro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluoro-4-methylphenyl)acetamide
2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluoro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | L849-0562 |
| Compound Name: | 2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluoro-4-methylphenyl)acetamide |
| Molecular Weight: | 480.56 |
| Molecular Formula: | C24 H25 F N6 O2 S |
| Smiles: | CCn1c(c2cn(C)nc2c2cccc(c2)OC)nnc1SCC(Nc1ccc(C)c(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2506 |
| logD: | 4.2504 |
| logSw: | -4.2459 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.743 |
| InChI Key: | QIOMCKOLFTWOAA-UHFFFAOYSA-N |