N-(3-cyanothiophen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-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-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-cyanothiophen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-9172 |
| Compound Name: | N-(3-cyanothiophen-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C17 H14 N6 O S2 |
| Smiles: | C=CCn1c(c2cccnc2)nnc1SCC(Nc1c(C#N)ccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8022 |
| logD: | 1.7561 |
| logSw: | -2.1935 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.737 |
| InChI Key: | USODKVJFNCQLLY-UHFFFAOYSA-N |