6,8-dimethyl-2-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Chemical Structure Depiction of
6,8-dimethyl-2-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
6,8-dimethyl-2-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0849 |
| Compound Name: | 6,8-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(c2cc(C)cc(C)c2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1595 |
| logD: | 3.1075 |
| logSw: | -4.2279 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.016 |
| InChI Key: | NIOGEEDIKCELBL-UHFFFAOYSA-N |