2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one
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)-1-(pyrrolidin-1-yl)ethan-1-one
2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C592-3012 |
| Compound Name: | 2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 449.5 |
| Molecular Formula: | C21 H22 F3 N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1cccc(c1)C(F)(F)F)SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7053 |
| logD: | 3.7043 |
| logSw: | -3.9894 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.345 |
| InChI Key: | YPIMZARKORENAA-UHFFFAOYSA-N |