3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[2-(3,5-dimethylpiperidin-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-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0411 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 551.73 |
| Molecular Formula: | C29 H33 N3 O4 S2 |
| Smiles: | CC1CC(C)CN(C1)C(CSC1=Nc2c3ccccc3sc2C(N1CCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3321 |
| logD: | 5.3321 |
| logSw: | -5.5536 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.764 |
| InChI Key: | IJPHGHGXNUQTQL-UHFFFAOYSA-N |