N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}butanamide
Chemical Structure Depiction of
N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}butanamide
N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}butanamide
Compound characteristics
| Compound ID: | J011-0064 |
| Compound Name: | N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}butanamide |
| Molecular Weight: | 301.37 |
| Molecular Formula: | C14 H15 N5 O S |
| Smiles: | CCCC(NCc1ccc(cc1)c1nn2cnnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5054 |
| logD: | 1.5054 |
| logSw: | -2.3169 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.116 |
| InChI Key: | JPESLXMKTPKGNL-UHFFFAOYSA-N |