2-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-7,8-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-7,8-dimethylquinolin-4(1H)-one
2-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-7,8-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0683 |
| Compound Name: | 2-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-7,8-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | Cc1ccc2C(C=C(CSc3nnc(c4ccc(cc4)OC)[nH]3)Nc2c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9928 |
| logD: | 2.8011 |
| logSw: | -4.2552 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.56 |
| InChI Key: | DYOKXXVXIVHMET-UHFFFAOYSA-N |