methyl 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
methyl 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
methyl 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: | D343-0055 |
| Compound Name: | methyl 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: | 473.48 |
| Molecular Formula: | C22 H20 F N3 O6 S |
| Smiles: | Cc1c(C(=O)OC)c(c(c2c3C(N(C)C(N(C)c3[nH]c2c2ccc(c(c2)F)OC)=O)=O)s1)O |
| Stereo: | ACHIRAL |
| logP: | 3.8772 |
| logD: | 3.1122 |
| logSw: | -4.2762 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.788 |
| InChI Key: | YSSPGBYKWWBTJY-UHFFFAOYSA-N |