1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G856-2657 |
| Compound Name: | 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 544.72 |
| Molecular Formula: | C31 H36 N4 O3 S |
| Smiles: | CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(CSc1nnc(COc2cccc3cccnc23)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2139 |
| logD: | 6.2032 |
| logSw: | -5.7951 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.04 |
| InChI Key: | ZZVCOASZHUJBLK-UHFFFAOYSA-N |