3-[2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]propanamide
Chemical Structure Depiction of
3-[2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]propanamide
3-[2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | C604-0250 |
| Compound Name: | 3-[2-{[(3-methylphenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]propanamide |
| Molecular Weight: | 493.65 |
| Molecular Formula: | C26 H27 N3 O3 S2 |
| Smiles: | Cc1cccc(CSC2=Nc3c4ccccc4sc3C(N2CCC(NCC2CCCO2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3846 |
| logD: | 4.3846 |
| logSw: | -4.2683 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.37 |
| InChI Key: | JXKHBKMOIYCOKX-LJQANCHMSA-N |