ethyl 5-(2,4-dioxo-6-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-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-phenyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-hydroxy-2-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D343-0005 |
| Compound Name: | ethyl 5-(2,4-dioxo-6-phenyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-hydroxy-2-methylthiophene-3-carboxylate |
| Molecular Weight: | 411.43 |
| Molecular Formula: | C20 H17 N3 O5 S |
| Smiles: | CCOC(c1c(c(c2c3C(NC(Nc3[nH]c2c2ccccc2)=O)=O)sc1C)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2559 |
| logD: | 2.4909 |
| logSw: | -3.4257 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 96.81 |
| InChI Key: | VPMFXNQWYRFFST-UHFFFAOYSA-N |