2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]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-[(oxolan-2-yl)methyl]acetamide
2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C592-3028 |
| Compound Name: | 2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 479.52 |
| Molecular Formula: | C22 H24 F3 N5 O2 S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1cccc(c1)C(F)(F)F)SCC(NCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7982 |
| logD: | 2.798 |
| logSw: | -3.3793 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.712 |
| InChI Key: | JWYWCFRIMHXJTL-GOSISDBHSA-N |