ethyl 5-[6-(3-fluoro-4-methoxyphenyl)-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[6-(3-fluoro-4-methoxyphenyl)-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate
ethyl 5-[6-(3-fluoro-4-methoxyphenyl)-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D343-0052 |
| Compound Name: | ethyl 5-[6-(3-fluoro-4-methoxyphenyl)-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate |
| Molecular Weight: | 459.45 |
| Molecular Formula: | C21 H18 F N3 O6 S |
| Smiles: | CCOC(c1c(c(c2c3C(NC(Nc3[nH]c2c2ccc(c(c2)F)OC)=O)=O)sc1C)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4458 |
| logD: | 2.6807 |
| logSw: | -3.8101 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 104.44 |
| InChI Key: | ZYPMHOOGXSKBOC-UHFFFAOYSA-N |