1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Compound characteristics
| Compound ID: | 1981-1468 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide |
| Molecular Weight: | 572.56 |
| Molecular Formula: | C25 H20 N10 O5 S |
| Smiles: | COc1ccc(/C=N/NC(c2c(c3ccc(cc3)[N+]([O-])=O)n(c3c(N)non3)nn2)=O)cc1CSc1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.7265 |
| logD: | 3.7264 |
| logSw: | -4.1451 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 166.552 |
| InChI Key: | IVYCJMMWMMEMSP-UHFFFAOYSA-N |