N-(2-hydroxyethyl)-4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
Chemical Structure Depiction of
N-(2-hydroxyethyl)-4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
N-(2-hydroxyethyl)-4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
Compound characteristics
| Compound ID: | C604-0010 |
| Compound Name: | N-(2-hydroxyethyl)-4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide |
| Molecular Weight: | 524.66 |
| Molecular Formula: | C26 H28 N4 O4 S2 |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3c4ccccc4sc3C(N2CCCC(NCCO)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1606 |
| logD: | 2.1606 |
| logSw: | -2.547 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.956 |
| InChI Key: | YBYFITJDGMWPIT-UHFFFAOYSA-N |