methyl 5-[1,3-dimethyl-6-(4-methylphenyl)-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
methyl 5-[1,3-dimethyl-6-(4-methylphenyl)-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate
methyl 5-[1,3-dimethyl-6-(4-methylphenyl)-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: | D343-0115 |
| Compound Name: | methyl 5-[1,3-dimethyl-6-(4-methylphenyl)-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C22 H21 N3 O5 S |
| Smiles: | Cc1ccc(cc1)c1c(c2C(N(C)C(N(C)c2[nH]1)=O)=O)c1c(c(C(=O)OC)c(C)s1)O |
| Stereo: | ACHIRAL |
| logP: | 4.2158 |
| logD: | 3.4508 |
| logSw: | -4.3603 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.157 |
| InChI Key: | DAODKHWKWRJVRM-UHFFFAOYSA-N |