{[4-(4-chlorophenyl)-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[4-(4-chlorophenyl)-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
{[4-(4-chlorophenyl)-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | 7287-0626 |
| Compound Name: | {[4-(4-chlorophenyl)-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid |
| Molecular Weight: | 426.88 |
| Molecular Formula: | C20 H15 Cl N4 O3 S |
| Smiles: | C(c1nnc(n1c1ccc(cc1)[Cl])SCC(O)=O)Oc1cccc2cccnc12 |
| Stereo: | ACHIRAL |
| logP: | 2.8837 |
| logD: | -0.4088 |
| logSw: | -3.1146 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.463 |
| InChI Key: | DFBMRYUHFMQFPM-UHFFFAOYSA-N |