2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C677-0119 |
| Compound Name: | 2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 485.53 |
| Molecular Formula: | C24 H22 F3 N5 O S |
| Smiles: | Cc1ccc(cc1)n1c(Cc2cccn2C)nnc1SCC(Nc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1317 |
| logD: | 5.1317 |
| logSw: | -4.9425 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.736 |
| InChI Key: | DZPNAAXRBJWVPG-UHFFFAOYSA-N |