2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-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-(1,3-thiazol-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-(1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C592-3029 |
| Compound Name: | 2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 478.52 |
| Molecular Formula: | C20 H17 F3 N6 O S2 |
| Smiles: | Cn1cccc1Cc1nnc(n1c1cccc(c1)C(F)(F)F)SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8273 |
| logD: | 3.8269 |
| logSw: | -3.9938 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.214 |
| InChI Key: | XBEJLONYKHBWGG-UHFFFAOYSA-N |