N-(4-{[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
N-(4-{[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3-thiazol-2-yl)acetamide
N-(4-{[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 8019-4004 |
| Compound Name: | N-(4-{[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C22 H19 N5 O4 S2 |
| Smiles: | CC(Nc1nc(CSc2nnc(COc3ccc4c(c3)OCO4)n2c2ccccc2)cs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6927 |
| logD: | 3.6851 |
| logSw: | -3.9237 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.107 |
| InChI Key: | RBMCCKFQPYLIKJ-UHFFFAOYSA-N |