methyl {[5-{[(2-methylquinolin-8-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-{[(2-methylquinolin-8-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-{[(2-methylquinolin-8-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C663-0680 |
| Compound Name: | methyl {[5-{[(2-methylquinolin-8-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 384.46 |
| Molecular Formula: | C19 H20 N4 O3 S |
| Smiles: | Cc1ccc2cccc(c2n1)OCc1nnc(n1CC=C)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.6858 |
| logD: | 2.6013 |
| logSw: | -2.9619 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.539 |
| InChI Key: | ACDCVCMKJFSHOP-UHFFFAOYSA-N |