2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C592-2997 |
| Compound Name: | 2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 455.94 |
| Molecular Formula: | C22 H19 Cl F N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccc(cc1)[Cl])SCC(Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4593 |
| logD: | 4.4592 |
| logSw: | -4.6588 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.736 |
| InChI Key: | ORILCZFIRUMDPX-UHFFFAOYSA-N |