N-(3-cyanothiophen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-cyanothiophen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-cyanothiophen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | Y205-9562 |
Compound Name: | N-(3-cyanothiophen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
Molecular Weight: | 382.46 |
Molecular Formula: | C17 H14 N6 O S2 |
Smiles: | C=CCn1c(c2ccncc2)nnc1SCC(Nc1c(C#N)ccs1)=O |
Stereo: | ACHIRAL |
logP: | 2.0337 |
logD: | 1.9987 |
logSw: | -2.5227 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.647 |
InChI Key: | WKLZQSMFTGVBPO-UHFFFAOYSA-N |