2-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,8-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,8-dimethylquinolin-4(1H)-one
2-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,8-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1433 |
| Compound Name: | 2-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5,8-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | Cc1ccc(C)c2c1C(C=C(CSc1nnc(c3ccc(cc3)OC)n1C)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2977 |
| logD: | 4.264 |
| logSw: | -4.3906 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.137 |
| InChI Key: | XFQFMHIYAJAUBP-UHFFFAOYSA-N |