2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Chemical Structure Depiction of
2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0005 |
| Compound Name: | 2-({[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinolin-4(1H)-one |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C19 H16 N4 O S |
| Smiles: | Cc1ccc(cc1)c1nnc([nH]1)SCC1=CC(c2ccccc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6272 |
| logD: | 2.4506 |
| logSw: | -3.8869 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.269 |
| InChI Key: | HKAIGEGDQBPVBQ-UHFFFAOYSA-N |