{[3-benzyl-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[3-benzyl-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
{[3-benzyl-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | 5627-0004 |
| Compound Name: | {[3-benzyl-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid |
| Molecular Weight: | 430.54 |
| Molecular Formula: | C21 H22 N2 O4 S2 |
| Smiles: | CC(C)C1Cc2c3C(N(Cc4ccccc4)C(=Nc3sc2CO1)SCC(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9026 |
| logD: | 1.322 |
| logSw: | -4.1536 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.601 |
| InChI Key: | ACOOOFJFSUVIME-OAHLLOKOSA-N |