N-(5-chloropyridin-2-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloropyridin-2-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-chloropyridin-2-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | Y206-0036 |
Compound Name: | N-(5-chloropyridin-2-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
Molecular Weight: | 385.87 |
Molecular Formula: | C18 H16 Cl N5 O S |
Smiles: | C=CCn1c(c2ccccc2)nnc1SCC(Nc1ccc(cn1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.2361 |
logD: | 4.2274 |
logSw: | -4.5097 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.073 |
InChI Key: | GRMUDTVIBAXRRZ-UHFFFAOYSA-N |