3-[2-{[(2-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-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]propanamide
3-[2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | C604-0242 |
| Compound Name: | 3-[2-{[(2-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: | Cc1ccccc1CSC1=Nc2c3ccccc3sc2C(N1CCC(NCC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5382 |
| logD: | 4.5382 |
| logSw: | -4.1031 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.37 |
| InChI Key: | ONZLBTWBRNUKLU-LJQANCHMSA-N |