N-(4-fluorophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-fluorophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-2730 |
| Compound Name: | N-(4-fluorophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 421.49 |
| Molecular Formula: | C22 H20 F N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccccc1)SCC(Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.743 |
| logD: | 3.743 |
| logSw: | -4.003 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.736 |
| InChI Key: | VSEMRRRAKYAWKO-UHFFFAOYSA-N |