1-(4-chlorophenyl)-2-[(4-methyl-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-[(4-methyl-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(4-chlorophenyl)-2-[(4-methyl-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | G856-2637 |
| Compound Name: | 1-(4-chlorophenyl)-2-[(4-methyl-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 424.91 |
| Molecular Formula: | C21 H17 Cl N4 O2 S |
| Smiles: | Cn1c(COc2cccc3cccnc23)nnc1SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3488 |
| logD: | 3.3438 |
| logSw: | -3.6602 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.393 |
| InChI Key: | JNIWRWBOVJKFOD-UHFFFAOYSA-N |