2-{[5-{[(5-chloroquinolin-8-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
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}acetamide
2-{[5-{[(5-chloroquinolin-8-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C592-3854 |
| Compound Name: | 2-{[5-{[(5-chloroquinolin-8-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 389.86 |
| Molecular Formula: | C17 H16 Cl N5 O2 S |
| Smiles: | C=CCn1c(COc2ccc(c3cccnc23)[Cl])nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.101 |
| logD: | 2.096 |
| logSw: | -2.6925 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.974 |
| InChI Key: | MMXOLSHETOEGHO-UHFFFAOYSA-N |