{[6,6-dimethyl-3-(2-methylphenyl)-4-oxo-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
{[6,6-dimethyl-3-(2-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
{[6,6-dimethyl-3-(2-methylphenyl)-4-oxo-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: | 5586-1929 |
| Compound Name: | {[6,6-dimethyl-3-(2-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C20 H20 N2 O4 S2 |
| Smiles: | Cc1ccccc1N1C(=Nc2c(C1=O)c1CC(C)(C)OCc1s2)SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3834 |
| logD: | 0.8028 |
| logSw: | -3.8708 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.034 |
| InChI Key: | ZYPWZZISSXYBOT-UHFFFAOYSA-N |