3-[2-{[(2-chlorophenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
3-[2-{[(2-chlorophenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(propan-2-yl)propanamide
3-[2-{[(2-chlorophenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | C604-0211 |
| Compound Name: | 3-[2-{[(2-chlorophenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(propan-2-yl)propanamide |
| Molecular Weight: | 472.03 |
| Molecular Formula: | C23 H22 Cl N3 O2 S2 |
| Smiles: | CC(C)NC(CCN1C(=Nc2c3ccccc3sc2C1=O)SCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1492 |
| logD: | 5.1492 |
| logSw: | -5.4842 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.961 |
| InChI Key: | DWJJYUFDJNCXII-UHFFFAOYSA-N |