methyl 2-{2-[3-(4-fluorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-(4-fluorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate
methyl 2-{2-[3-(4-fluorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C241-0701 |
| Compound Name: | methyl 2-{2-[3-(4-fluorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 453.45 |
| Molecular Formula: | C22 H16 F N3 O5 S |
| Smiles: | COC(c1ccccc1NC(CN1C(N(C(c2c1ccs2)=O)c1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0698 |
| logD: | 3.0591 |
| logSw: | -3.5356 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.299 |
| InChI Key: | HTLONQYUHGNLSL-UHFFFAOYSA-N |