2-{[4-(prop-2-en-1-yl)-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[4-(prop-2-en-1-yl)-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[4-(prop-2-en-1-yl)-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C592-3870 |
| Compound Name: | 2-{[4-(prop-2-en-1-yl)-5-{[(quinolin-8-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 355.42 |
| Molecular Formula: | C17 H17 N5 O2 S |
| Smiles: | C=CCn1c(COc2cccc3cccnc23)nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2921 |
| logD: | 1.2871 |
| logSw: | -2.0976 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.974 |
| InChI Key: | QPEKJXCZIYDSND-UHFFFAOYSA-N |