5,7-dimethyl-2-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Chemical Structure Depiction of
5,7-dimethyl-2-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
5,7-dimethyl-2-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1187 |
| Compound Name: | 5,7-dimethyl-2-({[5-(3-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: | Cc1cccc(c1)c1nnc([nH]1)SCC1=CC(c2c(C)cc(C)cc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6382 |
| logD: | 3.5862 |
| logSw: | -4.4997 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.269 |
| InChI Key: | YAONIJWDWSGNML-UHFFFAOYSA-N |