ethyl 4-hydroxy-2-methyl-5-(1-methyl-2,4-dioxo-6-phenyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4-hydroxy-2-methyl-5-(1-methyl-2,4-dioxo-6-phenyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophene-3-carboxylate
ethyl 4-hydroxy-2-methyl-5-(1-methyl-2,4-dioxo-6-phenyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D343-0004 |
| Compound Name: | ethyl 4-hydroxy-2-methyl-5-(1-methyl-2,4-dioxo-6-phenyl-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophene-3-carboxylate |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C21 H19 N3 O5 S |
| Smiles: | CCOC(c1c(c(c2c3C(NC(N(C)c3[nH]c2c2ccccc2)=O)=O)sc1C)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7497 |
| logD: | 2.9847 |
| logSw: | -4.2165 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.651 |
| InChI Key: | CIXMXUSBYBEZJH-UHFFFAOYSA-N |