methyl 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
methyl 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
methyl 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: | D343-0002 |
| Compound Name: | methyl 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: | 411.43 |
| Molecular Formula: | C20 H17 N3 O5 S |
| Smiles: | Cc1c(C(=O)OC)c(c(c2c3C(NC(N(C)c3[nH]c2c2ccccc2)=O)=O)s1)O |
| Stereo: | ACHIRAL |
| logP: | 3.3674 |
| logD: | 2.6024 |
| logSw: | -3.7396 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.071 |
| InChI Key: | PPOHGTYYOZOIHH-UHFFFAOYSA-N |