N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylbutanamide
Chemical Structure Depiction of
N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylbutanamide
N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylbutanamide
Compound characteristics
| Compound ID: | E157-4092 |
| Compound Name: | N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylbutanamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | CCC(C(Nc1nn2c(c3ccc(c(c3)OC)OC)nnc2s1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.871 |
| logD: | 3.8607 |
| logSw: | -4.0256 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.386 |
| InChI Key: | ZZXUOQYUPKILIB-OAHLLOKOSA-N |