ethyl 5-{2,4-dioxo-6-[4-(propan-2-yl)phenyl]-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-{2,4-dioxo-6-[4-(propan-2-yl)phenyl]-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}-4-hydroxy-2-methylthiophene-3-carboxylate
ethyl 5-{2,4-dioxo-6-[4-(propan-2-yl)phenyl]-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}-4-hydroxy-2-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D517-0216 |
| Compound Name: | ethyl 5-{2,4-dioxo-6-[4-(propan-2-yl)phenyl]-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}-4-hydroxy-2-methylthiophene-3-carboxylate |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C23 H23 N3 O5 S |
| Smiles: | CCOC(c1c(c(c2c3C(NC(Nc3[nH]c2c2ccc(cc2)C(C)C)=O)=O)sc1C)O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6992 |
| logD: | 3.9341 |
| logSw: | -4.5021 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 96.81 |
| InChI Key: | PJFMYQWOFPBJOU-UHFFFAOYSA-N |