1-(azepan-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(azepan-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
Compound ID: | C592-3014 |
Compound Name: | 1-(azepan-1-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
Molecular Weight: | 477.55 |
Molecular Formula: | C23 H26 F3 N5 O S |
Smiles: | Cn1cccc1Cc1nnc(n1c1cccc(c1)C(F)(F)F)SCC(N1CCCCCC1)=O |
Stereo: | ACHIRAL |
logP: | 4.4202 |
logD: | 4.4192 |
logSw: | -4.3599 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 45.31 |
InChI Key: | BKSFMHLMQDLARU-UHFFFAOYSA-N |