ethyl 5-[6-(4-fluorophenyl)-1-methyl-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-(4-fluorophenyl)-1-methyl-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-(4-fluorophenyl)-1-methyl-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: | 8018-6123 |
| Compound Name: | ethyl 5-[6-(4-fluorophenyl)-1-methyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate |
| Molecular Weight: | 443.45 |
| Molecular Formula: | C21 H18 F N3 O5 S |
| Smiles: | CCOC(c1c(c(c2c3C(NC(N(C)c3[nH]c2c2ccc(cc2)F)=O)=O)sc1C)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8838 |
| logD: | 3.1188 |
| logSw: | -4.2901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.651 |
| InChI Key: | FEAJWXXUCUIVPY-UHFFFAOYSA-N |