2-[(4-methyl-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one
Chemical Structure Depiction of
2-[(4-methyl-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one
2-[(4-methyl-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one
Compound characteristics
| Compound ID: | G786-1510 |
| Compound Name: | 2-[(4-methyl-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C21 H18 N4 O2 S |
| Smiles: | Cn1c(COc2cccc3cccnc23)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.649 |
| logD: | 2.644 |
| logSw: | -2.7429 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.393 |
| InChI Key: | PAIAHKFIVISLAR-UHFFFAOYSA-N |