N-[3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylbutanamide
Chemical Structure Depiction of
N-[3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylbutanamide
N-[3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylbutanamide
Compound characteristics
| Compound ID: | E157-4089 |
| Compound Name: | N-[3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylbutanamide |
| Molecular Weight: | 377.47 |
| Molecular Formula: | C20 H19 N5 O S |
| Smiles: | CCC(C(Nc1nn2c(c3ccc(C)cc3)nnc2s1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.672 |
| logD: | 4.6616 |
| logSw: | -4.3528 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.125 |
| InChI Key: | MBCCEJVORRAADU-MRXNPFEDSA-N |