2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K263-0064 |
| Compound Name: | 2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 465.59 |
| Molecular Formula: | C24 H23 N3 O3 S2 |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c3ccccc3sc2C1=O)SCC(NCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6223 |
| logD: | 3.6223 |
| logSw: | -3.7803 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.78 |
| InChI Key: | MMUZTAMRMWWEJZ-QGZVFWFLSA-N |