7,8-dimethyl-2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Chemical Structure Depiction of
7,8-dimethyl-2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
7,8-dimethyl-2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Compound characteristics
Compound ID: | G751-0681 |
Compound Name: | 7,8-dimethyl-2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one |
Molecular Weight: | 376.48 |
Molecular Formula: | C21 H20 N4 O S |
Smiles: | Cc1ccc(cc1)c1nnc([nH]1)SCC1=CC(c2ccc(C)c(C)c2N1)=O |
Stereo: | ACHIRAL |
logP: | 4.4338 |
logD: | 3.2572 |
logSw: | -4.2592 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 55.016 |
InChI Key: | UFSIPCICYNZUOM-UHFFFAOYSA-N |