4-{2-[(2-amino-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-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-(2-methoxyethyl)butanamide
4-{2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-(2-methoxyethyl)butanamide
Compound characteristics
| Compound ID: | C604-0081 |
| Compound Name: | 4-{2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-(2-methoxyethyl)butanamide |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C19 H22 N4 O4 S2 |
| Smiles: | COCCNC(CCCN1C(=Nc2c3ccccc3sc2C1=O)SCC(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6002 |
| logD: | 0.6002 |
| logSw: | -2.0804 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.831 |
| InChI Key: | PDDCQEAWOAPWLB-UHFFFAOYSA-N |