2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | C677-0271 |
| Compound Name: | 2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 466.49 |
| Molecular Formula: | C22 H19 F N6 O3 S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccc(cc1)F)SCC(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7903 |
| logD: | 3.7891 |
| logSw: | -3.965 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.117 |
| InChI Key: | YCVOBBSQDPJDTP-UHFFFAOYSA-N |