1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-N'-{[4-(dimethylamino)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-N'-{[4-(dimethylamino)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-N'-{[4-(dimethylamino)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Compound characteristics
| Compound ID: | 8008-2295 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-N'-{[4-(dimethylamino)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide |
| Molecular Weight: | 520.59 |
| Molecular Formula: | C22 H20 N10 O2 S2 |
| Smiles: | CN(C)c1ccc(/C=N/NC(c2c(CSc3nc4ccccc4s3)n(c3c(N)non3)nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0025 |
| logD: | 3.9835 |
| logSw: | -4.3009 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 129.77 |
| InChI Key: | VRBJHIDOSUWVKM-UHFFFAOYSA-N |