2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0419 |
| Compound Name: | 2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 491.67 |
| Molecular Formula: | C27 H29 N3 O2 S2 |
| Smiles: | CC1CC(C)CN(C1)C(CSC1=Nc2c3ccccc3sc2C(N1CCc1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.815 |
| logD: | 5.815 |
| logSw: | -5.6864 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.504 |
| InChI Key: | GOPFMLIVDVTULV-UHFFFAOYSA-N |