1-(3-nitrophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3-nitrophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(3-nitrophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | G786-1499 |
| Compound Name: | 1-(3-nitrophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 381.41 |
| Molecular Formula: | C18 H15 N5 O3 S |
| Smiles: | C=CCn1c(c2ccncc2)nnc1SCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1003 |
| logD: | 3.099 |
| logSw: | -3.2192 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.276 |
| InChI Key: | YQECQPXFLFWMOS-UHFFFAOYSA-N |