N-(3,4-dimethoxyphenyl)-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}acetamide
N-(3,4-dimethoxyphenyl)-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}acetamide
Compound characteristics
| Compound ID: | C200-4342 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}acetamide |
| Molecular Weight: | 519.55 |
| Molecular Formula: | C27 H22 F N3 O5 S |
| Smiles: | COc1ccc(cc1OC)NC(CN1C(N(Cc2ccc(cc2)F)C(c2c1c1ccccc1s2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7687 |
| logD: | 4.7686 |
| logSw: | -4.7946 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.581 |
| InChI Key: | QFUVTNYTAKTTAI-UHFFFAOYSA-N |