2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | C677-0195 |
| Compound Name: | 2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 517.53 |
| Molecular Formula: | C24 H22 F3 N5 O3 S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccc(cc1)OC)SCC(Nc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0091 |
| logD: | 5.0091 |
| logSw: | -4.6297 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.216 |
| InChI Key: | ILAVLLCIGZPQGF-UHFFFAOYSA-N |