3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Compound characteristics
| Compound ID: | 6280-0711 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine |
| Molecular Weight: | 486.63 |
| Molecular Formula: | C22 H22 N4 O3 S3 |
| Smiles: | CC(C)C1Cc2c3c4nnc(n4C(=Nc3sc2CO1)SC)SCc1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0924 |
| logD: | 5.0924 |
| logSw: | -5.0831 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.492 |
| InChI Key: | LFFAAEOCSMWSMP-OAHLLOKOSA-N |