N-(5-ethyl-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-ethyl-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-ethyl-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: | 8012-5109 |
| Compound Name: | N-(5-ethyl-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: | 387.48 |
| Molecular Formula: | C16 H17 N7 O S2 |
| Smiles: | CCc1nnc(NC(CSc2nnc(c3cccnc3)n2CC=C)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.152 |
| logD: | 2.0918 |
| logSw: | -2.1481 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.926 |
| InChI Key: | UMGSOVNUVXLJPP-UHFFFAOYSA-N |