ethyl 5-[6-(3-fluoro-4-methoxyphenyl)-1,3-dimethyl-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)-1,3-dimethyl-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)-1,3-dimethyl-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: | D343-0054 |
| Compound Name: | ethyl 5-[6-(3-fluoro-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate |
| Molecular Weight: | 487.51 |
| Molecular Formula: | C23 H22 F N3 O6 S |
| Smiles: | CCOC(c1c(c(c2c3C(N(C)C(N(C)c3[nH]c2c2ccc(c(c2)F)OC)=O)=O)sc1C)O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2595 |
| logD: | 3.4945 |
| logSw: | -4.3861 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.367 |
| InChI Key: | CRDLHQNUZDAUIH-UHFFFAOYSA-N |