methyl {[5-oxo-4-phenyl-7-(propan-2-yl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-oxo-4-phenyl-7-(propan-2-yl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate
methyl {[5-oxo-4-phenyl-7-(propan-2-yl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 5627-0049 |
| Compound Name: | methyl {[5-oxo-4-phenyl-7-(propan-2-yl)-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C22 H22 N4 O4 S2 |
| Smiles: | CC(C)C1Cc2c3C(N(c4ccccc4)c4nnc(n4c3sc2CO1)SCC(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5941 |
| logD: | 3.5941 |
| logSw: | -3.9284 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.275 |
| InChI Key: | QANRHDQKBGTNTM-OAHLLOKOSA-N |