4-[2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-methoxyethyl)butanamide
Chemical Structure Depiction of
4-[2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-methoxyethyl)butanamide
4-[2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-methoxyethyl)butanamide
Compound characteristics
| Compound ID: | C604-0067 |
| Compound Name: | 4-[2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-methoxyethyl)butanamide |
| Molecular Weight: | 538.69 |
| Molecular Formula: | C27 H30 N4 O4 S2 |
| Smiles: | Cc1ccc(cc1C)NC(CSC1=Nc2c3ccccc3sc2C(N1CCCC(NCCOC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7487 |
| logD: | 3.7487 |
| logSw: | -3.8988 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.321 |
| InChI Key: | XWXCIFQVIJSMCI-UHFFFAOYSA-N |