4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[(oxolan-2-yl)methyl]butanamide
Chemical Structure Depiction of
4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[(oxolan-2-yl)methyl]butanamide
4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[(oxolan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | C604-0160 |
| Compound Name: | 4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[(oxolan-2-yl)methyl]butanamide |
| Molecular Weight: | 564.73 |
| Molecular Formula: | C29 H32 N4 O4 S2 |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3c4ccccc4sc3C(N2CCCC(NCC2CCCO2)=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9874 |
| logD: | 2.9874 |
| logSw: | -3.2106 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.841 |
| InChI Key: | CSHZYGBGNUVFJH-OAQYLSRUSA-N |