N-[(2-chlorophenyl)methyl]-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-[(2-chlorophenyl)methyl]-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}acetamide
N-[(2-chlorophenyl)methyl]-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: | C200-4236 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}acetamide |
| Molecular Weight: | 507.97 |
| Molecular Formula: | C26 H19 Cl F N3 O3 S |
| Smiles: | C(c1ccccc1[Cl])NC(CN1C(N(Cc2ccc(cc2)F)C(c2c1c1ccccc1s2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5935 |
| logD: | 5.5935 |
| logSw: | -5.9516 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.642 |
| InChI Key: | WSZJRGCBFMXQQS-UHFFFAOYSA-N |