N-{3-[(4-methylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}butanamide
Chemical Structure Depiction of
N-{3-[(4-methylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}butanamide
N-{3-[(4-methylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}butanamide
Compound characteristics
| Compound ID: | E157-4227 |
| Compound Name: | N-{3-[(4-methylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}butanamide |
| Molecular Weight: | 331.39 |
| Molecular Formula: | C15 H17 N5 O2 S |
| Smiles: | CCCC(Nc1nn2c(COc3ccc(C)cc3)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3998 |
| logD: | 2.3751 |
| logSw: | -2.8583 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.659 |
| InChI Key: | XOJNHAUMCJZDRD-UHFFFAOYSA-N |