2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C592-4000 |
| Compound Name: | 2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 453.48 |
| Molecular Formula: | C20 H22 F3 N5 O2 S |
| Smiles: | Cn1cccc1Cc1nnc(n1CCOC)SCC(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4939 |
| logD: | 3.4935 |
| logSw: | -3.8451 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.585 |
| InChI Key: | ZYPGXRMOUFQDKG-UHFFFAOYSA-N |