[(3-benzyl-6,6-dimethyl-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
[(3-benzyl-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid
[(3-benzyl-6,6-dimethyl-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: | 8640-0471 |
| Compound Name: | [(3-benzyl-6,6-dimethyl-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: | [H]OC(CSC1=Nc2c(C(N1Cc1ccccc1)=O)c1CC(C)(C)OCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4288 |
| logD: | 0.8482 |
| logSw: | -3.736 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.946 |
| InChI Key: | ZVSHBMLVKCEAEH-UHFFFAOYSA-N |