4-(4-methylphenyl)-7-(propan-2-yl)-1-[(propan-2-yl)sulfanyl]-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-(4-methylphenyl)-7-(propan-2-yl)-1-[(propan-2-yl)sulfanyl]-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-(4-methylphenyl)-7-(propan-2-yl)-1-[(propan-2-yl)sulfanyl]-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | 8640-0437 |
| Compound Name: | 4-(4-methylphenyl)-7-(propan-2-yl)-1-[(propan-2-yl)sulfanyl]-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 454.61 |
| Molecular Formula: | C23 H26 N4 O2 S2 |
| Smiles: | CC(C)C1Cc2c3C(N(c4ccc(C)cc4)c4nnc(n4c3sc2CO1)SC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4414 |
| logD: | 5.4414 |
| logSw: | -5.4629 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.696 |
| InChI Key: | BBSPJQJPPJNELB-QGZVFWFLSA-N |