methyl {[4-(4-methoxyphenyl)-5-oxo-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 {[4-(4-methoxyphenyl)-5-oxo-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 {[4-(4-methoxyphenyl)-5-oxo-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: | 8012-9677 |
| Compound Name: | methyl {[4-(4-methoxyphenyl)-5-oxo-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: | 500.59 |
| Molecular Formula: | C23 H24 N4 O5 S2 |
| Smiles: | CC(C)C1Cc2c3C(N(c4ccc(cc4)OC)c4nnc(n4c3sc2CO1)SCC(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.698 |
| logD: | 3.698 |
| logSw: | -4.3186 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.819 |
| InChI Key: | SZOCUXZJSLIMRK-MRXNPFEDSA-N |