ethyl 5-[6-(3,4-dimethylphenyl)-1-methyl-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
ethyl 5-[6-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate
ethyl 5-[6-(3,4-dimethylphenyl)-1-methyl-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: | D517-0026 |
| Compound Name: | ethyl 5-[6-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-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(N(C)c3[nH]c2c2ccc(C)c(C)c2)=O)=O)sc1C)O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8149 |
| logD: | 4.0498 |
| logSw: | -4.5305 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.651 |
| InChI Key: | YNKXCVQUVBMMFR-UHFFFAOYSA-N |