4-[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-cyclohexylbutanamide
Chemical Structure Depiction of
4-[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-cyclohexylbutanamide
4-[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-cyclohexylbutanamide
Compound characteristics
| Compound ID: | C200-2002 |
| Compound Name: | 4-[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-cyclohexylbutanamide |
| Molecular Weight: | 516.68 |
| Molecular Formula: | C28 H28 N4 O2 S2 |
| Smiles: | C1CCC(CC1)NC(CCCN1C(=Nc2c3ccccc3sc2C1=O)SCc1ccccc1C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 5.176 |
| logD: | 5.176 |
| logSw: | -5.385 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.497 |
| InChI Key: | OKHYUYNPSJVJBG-UHFFFAOYSA-N |