N-[3-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butanamide
Chemical Structure Depiction of
N-[3-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butanamide
N-[3-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butanamide
Compound characteristics
| Compound ID: | E157-4212 |
| Compound Name: | N-[3-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butanamide |
| Molecular Weight: | 301.37 |
| Molecular Formula: | C14 H15 N5 O S |
| Smiles: | CCCC(Nc1nn2c(c3ccccc3C)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6417 |
| logD: | 2.6403 |
| logSw: | -3.2325 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.183 |
| InChI Key: | BYQRQPHWDCTNJF-UHFFFAOYSA-N |