2-{[5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
Compound ID: | V013-4275 |
Compound Name: | 2-{[5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
Molecular Weight: | 396.49 |
Molecular Formula: | C21 H21 F N4 O S |
Salt: | not_available |
Smiles: | Cc1ccc(cc1)n1c(c2ccc(cc2)F)nnc1SCC(N1CCCC1)=O |
Stereo: | ACHIRAL |
logP: | 4.2839 |
logD: | 4.2839 |
logSw: | -4.1446 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 41.471 |
InChI Key: | WFYMYXVDVQEROZ-UHFFFAOYSA-N |