4-[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-methoxyethyl)butanamide
Chemical Structure Depiction of
4-[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-methoxyethyl)butanamide
4-[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-methoxyethyl)butanamide
Compound characteristics
| Compound ID: | C604-0061 |
| Compound Name: | 4-[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-methoxyethyl)butanamide |
| Molecular Weight: | 492.62 |
| Molecular Formula: | C25 H24 N4 O3 S2 |
| Smiles: | COCCNC(CCCN1C(=Nc2c3ccccc3sc2C1=O)SCc1ccccc1C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1658 |
| logD: | 3.1658 |
| logSw: | -3.4331 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.227 |
| InChI Key: | QEKJKSNIHZODAQ-UHFFFAOYSA-N |