2-(2,3-dihydro-1,4-benzodioxin-2-yl)-7-[4-(methylsulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-7-[4-(methylsulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidine
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-7-[4-(methylsulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | Y042-1888 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-7-[4-(methylsulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 376.44 |
| Molecular Formula: | C20 H16 N4 O2 S |
| Smiles: | CSc1ccc(cc1)c1ccnc2nc(C3COc4ccccc4O3)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3089 |
| logD: | 4.3089 |
| logSw: | -4.4743 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.379 |
| InChI Key: | MFANDOSJOSUCGS-SFHVURJKSA-N |