2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C592-3031 |
| Compound Name: | 2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 493.53 |
| Molecular Formula: | C20 H18 F3 N7 O S2 |
| Smiles: | Cc1nnc(NC(CSc2nnc(Cc3cccn3C)n2c2cccc(c2)C(F)(F)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4886 |
| logD: | 3.4478 |
| logSw: | -3.9454 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.087 |
| InChI Key: | AAMKTOXFXJBWPT-UHFFFAOYSA-N |