N-(3-cyanothiophen-2-yl)-2-{[5-(5-methylthiophen-3-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-cyanothiophen-2-yl)-2-{[5-(5-methylthiophen-3-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-cyanothiophen-2-yl)-2-{[5-(5-methylthiophen-3-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y203-3310 |
| Compound Name: | N-(3-cyanothiophen-2-yl)-2-{[5-(5-methylthiophen-3-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 403.54 |
| Molecular Formula: | C17 H17 N5 O S3 |
| Smiles: | CCCn1c(c2cc(C)sc2)nnc1SCC(Nc1c(C#N)ccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5757 |
| logD: | 3.542 |
| logSw: | -3.6878 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.238 |
| InChI Key: | SZVHVVPSDGFSOX-UHFFFAOYSA-N |