methyl 5-[6-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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: | D517-0098 |
| Compound Name: | methyl 5-[6-(4-ethoxyphenyl)-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C21 H19 N3 O6 S |
| Smiles: | CCOc1ccc(cc1)c1c(c2C(NC(Nc2[nH]1)=O)=O)c1c(c(C(=O)OC)c(C)s1)O |
| Stereo: | ACHIRAL |
| logP: | 3.3477 |
| logD: | 2.5826 |
| logSw: | -3.4655 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 104.354 |
| InChI Key: | GDZIQJVACXFYIP-UHFFFAOYSA-N |