{6,6-dimethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxo-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(4H)-yl}acetic acid
Chemical Structure Depiction of
{6,6-dimethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxo-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(4H)-yl}acetic acid
{6,6-dimethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxo-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(4H)-yl}acetic acid
Compound characteristics
| Compound ID: | 8640-0197 |
| Compound Name: | {6,6-dimethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxo-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(4H)-yl}acetic acid |
| Molecular Weight: | 449.52 |
| Molecular Formula: | C21 H27 N3 O6 S |
| Smiles: | [H]OC(CN1C(c2c3CC(C)(C)OCc3sc2N(CC(N2CCC(C)CC2)=O)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.102 |
| logD: | -2.9259 |
| logSw: | -1.7039 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.384 |
| InChI Key: | ZARJDLBXYNMKQR-UHFFFAOYSA-N |