3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[3-(methoxyacetyl)piperidin-1-yl]-2-oxoethyl}sulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[3-(methoxyacetyl)piperidin-1-yl]-2-oxoethyl}sulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[3-(methoxyacetyl)piperidin-1-yl]-2-oxoethyl}sulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0412 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[3-(methoxyacetyl)piperidin-1-yl]-2-oxoethyl}sulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 595.74 |
| Molecular Formula: | C30 H33 N3 O6 S2 |
| Smiles: | COCC(C1CCCN(C1)C(CSC1=Nc2c3ccccc3sc2C(N1CCc1ccc(c(c1)OC)OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5592 |
| logD: | 3.5592 |
| logSw: | -3.8955 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.502 |
| InChI Key: | QIJKYIQHDCWCKK-FQEVSTJZSA-N |