1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)methylidene]-5-[(morpholin-4-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)methylidene]-5-[(morpholin-4-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)methylidene]-5-[(morpholin-4-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Compound characteristics
| Compound ID: | 8009-5770 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)methylidene]-5-[(morpholin-4-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide |
| Molecular Weight: | 606.68 |
| Molecular Formula: | C26 H26 N10 O4 S2 |
| Smiles: | COc1ccc(/C=N/NC(c2c(CN3CCOCC3)n(c3c(N)non3)nn2)=O)cc1CSc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4669 |
| logD: | 3.4578 |
| logSw: | -3.7106 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 146.237 |
| InChI Key: | NHEPBKPRFVMXIT-UHFFFAOYSA-N |