6-{2-[(cyanomethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-(2-phenylethyl)hexanamide
Chemical Structure Depiction of
6-{2-[(cyanomethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-(2-phenylethyl)hexanamide
6-{2-[(cyanomethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-(2-phenylethyl)hexanamide
Compound characteristics
| Compound ID: | K292-1171 |
| Compound Name: | 6-{2-[(cyanomethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-(2-phenylethyl)hexanamide |
| Molecular Weight: | 440.59 |
| Molecular Formula: | C22 H24 N4 O2 S2 |
| Smiles: | C(CCC(NCCc1ccccc1)=O)CCN1C(=Nc2ccsc2C1=O)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 2.6495 |
| logD: | 2.6495 |
| logSw: | -2.9609 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.844 |
| InChI Key: | XYRAHIHQVOTBHF-UHFFFAOYSA-N |