4-[2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-hydroxyethyl)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-hydroxyethyl)butanamide
4-[2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-hydroxyethyl)butanamide
Compound characteristics
Compound ID: | C604-0007 |
Compound Name: | 4-[2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-hydroxyethyl)butanamide |
Molecular Weight: | 524.66 |
Molecular Formula: | C26 H28 N4 O4 S2 |
Smiles: | Cc1ccc(cc1C)NC(CSC1=Nc2c3ccccc3sc2C(N1CCCC(NCCO)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0433 |
logD: | 3.0433 |
logSw: | -3.2521 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 88.634 |
InChI Key: | JFDJYEWMYNAWEI-UHFFFAOYSA-N |