{1-[(2-chlorophenyl)methyl]-6,6-dimethyl-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
{1-[(2-chlorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(4H)-yl}acetic acid
{1-[(2-chlorophenyl)methyl]-6,6-dimethyl-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: | 8640-0199 |
| Compound Name: | {1-[(2-chlorophenyl)methyl]-6,6-dimethyl-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: | 434.9 |
| Molecular Formula: | C20 H19 Cl N2 O5 S |
| Smiles: | [H]OC(CN1C(c2c3CC(C)(C)OCc3sc2N(Cc2ccccc2[Cl])C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9212 |
| logD: | -1.1066 |
| logSw: | -3.2036 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.992 |
| InChI Key: | SNKQVZGPXSQYCC-UHFFFAOYSA-N |