2-{[5-{[(5-chloroquinolin-8-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-{[(5-chloroquinolin-8-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
2-{[5-{[(5-chloroquinolin-8-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G856-2654 |
| Compound Name: | 2-{[5-{[(5-chloroquinolin-8-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 468.94 |
| Molecular Formula: | C23 H18 Cl F N4 O2 S |
| Smiles: | C=CCn1c(COc2ccc(c3cccnc23)[Cl])nnc1SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4183 |
| logD: | 4.4133 |
| logSw: | -4.608 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.561 |
| InChI Key: | YCNHYNYYLJPUKI-UHFFFAOYSA-N |