ethyl 4-(2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate
ethyl 4-(2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C200-4233 |
| Compound Name: | ethyl 4-(2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate |
| Molecular Weight: | 531.56 |
| Molecular Formula: | C28 H22 F N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(N(Cc2ccc(cc2)F)C(c2c1c1ccccc1s2)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8351 |
| logD: | 5.8351 |
| logSw: | -5.7669 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.074 |
| InChI Key: | CNJOJEFIYQQUBP-UHFFFAOYSA-N |