6-[(4-tert-butylphenoxy)methyl]-3-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(4-tert-butylphenoxy)methyl]-3-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(4-tert-butylphenoxy)methyl]-3-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0450 |
| Compound Name: | 6-[(4-tert-butylphenoxy)methyl]-3-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nn2c(C3COc4ccccc4O3)nnc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9575 |
| logD: | 4.9575 |
| logSw: | -4.6784 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.153 |
| InChI Key: | CUUNCPOZXOHVHW-SFHVURJKSA-N |