N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3-iodobenzamide
Chemical Structure Depiction of
N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3-iodobenzamide
N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3-iodobenzamide
Compound characteristics
| Compound ID: | J011-0322 |
| Compound Name: | N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3-iodobenzamide |
| Molecular Weight: | 489.34 |
| Molecular Formula: | C19 H16 I N5 O S |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNC(c3cccc(c3)I)=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.9119 |
| logD: | 3.9117 |
| logSw: | -3.9611 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.383 |
| InChI Key: | MQDOKFRQYMGSGX-UHFFFAOYSA-N |