ethyl 4-{2-[3-(4-bromo-2-fluorophenyl)-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-bromo-2-fluorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate
ethyl 4-{2-[3-(4-bromo-2-fluorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C200-4176 |
| Compound Name: | ethyl 4-{2-[3-(4-bromo-2-fluorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 596.43 |
| Molecular Formula: | C27 H19 Br F N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(N(C(c2c1c1ccccc1s2)=O)c1ccc(cc1F)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0403 |
| logD: | 6.0402 |
| logSw: | -5.7439 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.161 |
| InChI Key: | IMJXJRHZFAFDTM-UHFFFAOYSA-N |