2-({[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6,8-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-({[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6,8-dimethylquinolin-4(1H)-one
2-({[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6,8-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0851 |
| Compound Name: | 2-({[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6,8-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | Cc1cc(C)c2c(c1)C(C=C(CSc1nnc(c3cccc(c3)OC)[nH]1)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8506 |
| logD: | 2.6741 |
| logSw: | -3.9605 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.56 |
| InChI Key: | QBEMDWHNJVPKDX-UHFFFAOYSA-N |