N-(5-phenyl-1,3,4-thiadiazol-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-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-phenyl-1,3,4-thiadiazol-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: | 8012-5665 |
| Compound Name: | N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 435.53 |
| Molecular Formula: | C20 H17 N7 O S2 |
| Smiles: | C=CCn1c(c2cccnc2)nnc1SCC(Nc1nnc(c2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1659 |
| logD: | 3.1533 |
| logSw: | -3.1092 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.16 |
| InChI Key: | BVNRDCAZXFUKFF-UHFFFAOYSA-N |